 Entering Gaussian System, Link 0=g16
 Input=06_betapinene_STD_wB97XD-augccpVDZr.in
 Output=06_betapinene_STD_wB97XD-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/06_betapinene_STD/Gau-85003.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/06_betapinene_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     85005.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 9-Jul-2021 
 ******************************************
 %NoSave
 %nproc=12
 Will use up to   12 processors via shared memory.
 %mem=128GB
 %chk=06_betapinene_STD_wB97XD-augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul  9 22:54:46 2021, MaxMem= 17179869184 cpu:               1.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "06_betapinene_STD_wB97XD-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.736209000000      0.801878000000      0.378732000000
  C                                                 0.496901000000      1.638940000000      0.787068000000
  C                                                 1.383096000000     -0.522443000000     -0.274501000000
  C                                                 2.201969000000     -1.569072000000     -0.279208000000
  C                                                 0.025556000000     -0.542713000000     -0.909694000000
  C                                                -1.066183000000     -0.286051000000      0.196211000000
  C                                                -0.738063000000      1.227450000000     -0.016143000000
  C                                                -0.309046000000      0.871194000000     -1.461941000000
  H                                                 2.398518000000      0.639455000000      1.229830000000
  H                                                 0.705457000000      2.697786000000      0.618767000000
  H                                                 0.292720000000      1.530390000000      1.853834000000
  H                                                 3.163814000000     -1.541544000000      0.219131000000
  H                                                 1.937671000000     -2.488500000000     -0.787055000000
  H                                                -0.114313000000     -1.410379000000     -1.555412000000
  C                                                -0.857617000000     -0.904210000000      1.570339000000
  C                                                -2.466835000000     -0.645129000000     -0.296336000000
  H                                                -1.560459000000      1.932149000000      0.122182000000
  H                                                -1.140268000000      0.855938000000     -2.161136000000
  H                                                 0.507286000000      1.443130000000     -1.902380000000
  H                                                 0.139287000000     -0.735039000000      1.971262000000
  H                                                -1.004924000000     -1.985930000000      1.522168000000
  H                                                -1.583414000000     -0.502658000000      2.282629000000
  H                                                -2.691969000000     -0.231611000000     -1.278562000000
  H                                                -3.219726000000     -0.269790000000      0.401530000000
  H                                                -2.582631000000     -1.729976000000     -0.357089000000
  H                                                 2.317034000000      1.377511000000     -0.346860000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1
 NAtoms=     26 NQM=       26 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1          12          12           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           0           0           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Fri Jul  9 22:54:46 2021, MaxMem= 17179869184 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.736209    0.801878    0.378732
      2          6           0        0.496901    1.638940    0.787068
      3          6           0        1.383096   -0.522443   -0.274501
      4          6           0        2.201969   -1.569072   -0.279208
      5          6           0        0.025556   -0.542713   -0.909694
      6          6           0       -1.066183   -0.286051    0.196211
      7          6           0       -0.738063    1.227450   -0.016143
      8          6           0       -0.309046    0.871194   -1.461941
      9          1           0        2.398518    0.639455    1.229830
     10          1           0        0.705457    2.697786    0.618767
     11          1           0        0.292720    1.530390    1.853834
     12          1           0        3.163814   -1.541544    0.219131
     13          1           0        1.937671   -2.488500   -0.787055
     14          1           0       -0.114313   -1.410379   -1.555412
     15          6           0       -0.857617   -0.904210    1.570339
     16          6           0       -2.466835   -0.645129   -0.296336
     17          1           0       -1.560459    1.932149    0.122182
     18          1           0       -1.140268    0.855938   -2.161136
     19          1           0        0.507286    1.443130   -1.902380
     20          1           0        0.139287   -0.735039    1.971262
     21          1           0       -1.004924   -1.985930    1.522168
     22          1           0       -1.583414   -0.502658    2.282629
     23          1           0       -2.691969   -0.231611   -1.278562
     24          1           0       -3.219726   -0.269790    0.401530
     25          1           0       -2.582631   -1.729976   -0.357089
     26          1           0        2.317034    1.377511   -0.346860
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.550257   0.000000
     3  C    1.518298   2.565901   0.000000
     4  C    2.504241   3.786231   1.328912   0.000000
     5  C    2.528695   2.803708   1.498932   2.487509   0.000000
     6  C    3.011695   2.549105   2.505278   3.543019   1.575054
     7  C    2.541468   1.529578   2.761918   4.066144   2.124859
     8  C    2.752444   2.509388   2.493107   3.695802   1.554371
     9  H    1.090597   2.193435   2.155018   2.682055   3.406763
    10  H    2.171298   1.092234   3.409838   4.609987   3.646819
    11  H    2.188679   1.091541   3.151643   4.219214   3.464999
    12  H    2.748664   4.189326   2.110260   1.083626   3.481461
    13  H    3.496603   4.646444   2.106097   1.083102   2.730808
    14  H    3.472668   3.893474   2.161341   2.649348   1.090578
    15  C    3.325447   2.985941   2.927452   3.636472   2.657299
    16  C    4.496123   3.895442   3.851947   4.759380   2.568795
    17  H    3.494474   2.181920   3.853167   5.155146   3.115310
    18  H    3.837704   3.461982   3.438996   4.537937   2.209407
    19  H    2.669256   2.696587   2.698242   3.818376   2.271797
    20  H    2.729180   2.676935   2.575987   3.164630   2.889608
    21  H    4.073467   3.991933   3.327530   3.701741   3.009770
    22  H    4.043085   3.339290   3.916566   4.693546   3.575097
    23  H    4.839781   4.234936   4.207003   5.170893   2.760034
    24  H    5.070531   4.195856   4.659058   5.616611   3.510791
    25  H    5.060049   4.705551   4.146317   4.787938   2.918494
    26  H    1.093250   2.160329   2.118325   2.949605   3.042189
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.563151   0.000000
     8  C    2.159153   1.549615   0.000000
     9  H    3.732169   3.425832   3.824949   0.000000
    10  H    3.495790   2.156096   2.948729   2.734334   0.000000
    11  H    2.809589   2.156641   3.433806   2.370133   1.748873
    12  H    4.412444   4.790337   4.550611   2.522686   4.916823
    13  H    3.852367   4.643505   4.097652   3.750241   5.512917
    14  H    2.288745   3.117139   2.291775   4.274776   4.719756
    15  C    1.521134   2.659923   3.556362   3.619567   4.040181
    16  C    1.527536   2.563925   2.883388   5.258422   4.698503
    17  H    2.273807   1.091819   2.280593   4.309459   2.442780
    18  H    2.620441   2.213772   1.086295   4.905968   3.811426
    19  H    3.141649   2.270529   1.089723   3.746117   2.823051
    20  H    2.192157   2.927607   3.816788   2.746467   3.732838
    21  H    2.156734   3.572594   4.189548   4.308309   5.067419
    22  H    2.160460   2.998707   4.187277   4.274177   4.272026
    23  H    2.195700   2.745962   2.632134   5.741415   4.870701
    24  H    2.163370   2.928281   3.639564   5.751302   4.925521
    25  H    2.165797   3.502148   3.627116   5.739718   5.600794
    26  H    3.809005   3.076607   2.897595   1.742790   2.296245
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.511343   0.000000
    13  H    5.082483   1.847312   0.000000
    14  H    4.520703   3.729923   2.441998   0.000000
    15  C    2.707568   4.289973   3.985087   3.252542   0.000000
    16  C    4.119619   5.724812   4.799843   2.775831   2.478141
    17  H    2.567937   5.864699   5.710146   4.009757   3.261300
    18  H    4.316054   5.471628   4.748376   2.560406   4.135447
    19  H    3.763349   4.523962   4.329857   2.940967   4.408258
    20  H    2.273653   3.587224   3.730566   3.599698   1.087739
    21  H    3.762763   4.390189   3.774116   3.255141   1.092766
    22  H    2.799469   5.279534   5.075881   4.208655   1.093335
    23  H    4.671715   6.184594   5.173847   2.847885   3.454486
    24  H    4.205605   6.511544   5.738828   3.843716   2.710749
    25  H    4.877070   5.778336   4.603625   2.762375   2.715242
    26  H    2.994040   3.091644   3.909441   3.891578   4.354344
                   16         17         18         19         20
    16  C    0.000000
    17  H    2.763881   0.000000
    18  H    2.736871   2.558971   0.000000
    19  H    3.973109   2.934887   1.768102   0.000000
    20  H    3.455714   3.663622   4.609250   4.459254   0.000000
    21  H    2.691076   4.197609   4.654166   5.076688   1.753748
    22  H    2.729797   3.255202   4.667891   5.066697   1.765970
    23  H    1.089243   2.815006   2.090329   3.664579   4.339448
    24  H    1.093042   2.771234   3.486928   4.704542   3.736774
    25  H    1.092700   3.832192   3.467268   4.690854   3.717520
    26  H    5.194134   3.944943   3.939108   2.387286   3.818264
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.764383   0.000000
    23  H    3.710505   3.739578   0.000000
    24  H    3.017667   2.504052   1.761447   0.000000
    25  H    2.467038   3.077800   1.762432   1.764521   0.000000
    26  H    5.083444   5.065841   5.342982   5.824895   5.802008
                   26
    26  H    0.000000
 Stoichiometry    C10H16
 Framework group  C1[X(C10H16)]
 Deg. of freedom    72
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 6.48D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.736209    0.801878    0.378732
      2          6           0        0.496901    1.638940    0.787068
      3          6           0        1.383096   -0.522443   -0.274501
      4          6           0        2.201969   -1.569072   -0.279208
      5          6           0        0.025556   -0.542713   -0.909694
      6          6           0       -1.066183   -0.286051    0.196211
      7          6           0       -0.738063    1.227450   -0.016143
      8          6           0       -0.309046    0.871194   -1.461941
      9          1           0        2.398518    0.639455    1.229830
     10          1           0        0.705457    2.697786    0.618767
     11          1           0        0.292720    1.530390    1.853834
     12          1           0        3.163814   -1.541544    0.219131
     13          1           0        1.937671   -2.488500   -0.787055
     14          1           0       -0.114313   -1.410379   -1.555412
     15          6           0       -0.857617   -0.904210    1.570339
     16          6           0       -2.466835   -0.645129   -0.296336
     17          1           0       -1.560459    1.932149    0.122182
     18          1           0       -1.140268    0.855938   -2.161136
     19          1           0        0.507286    1.443130   -1.902380
     20          1           0        0.139287   -0.735039    1.971262
     21          1           0       -1.004924   -1.985930    1.522168
     22          1           0       -1.583414   -0.502658    2.282629
     23          1           0       -2.691969   -0.231611   -1.278562
     24          1           0       -3.219726   -0.269790    0.401530
     25          1           0       -2.582631   -1.729976   -0.357089
     26          1           0        2.317034    1.377511   -0.346860
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.9111302           1.2981916           1.1547870
 Leave Link  202 at Fri Jul  9 22:54:46 2021, MaxMem= 17179869184 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     17     18     19     20
 Centers:      21     22     23     24     25     26
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     15     16
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  30 primitive shells out of 408 were deleted.
 There are   394 symmetry adapted cartesian basis functions of A   symmetry.
 There are   374 symmetry adapted basis functions of A   symmetry.
   374 basis functions,   662 primitive gaussians,   394 cartesian basis functions
    38 alpha electrons       38 beta electrons
       nuclear repulsion energy       571.0056832907 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   26 NActive=   26 NUniq=   26 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0215388133 Hartrees.
 Nuclear repulsion after empirical dispersion term =      570.9841444774 Hartrees.
 Leave Link  301 at Fri Jul  9 22:54:48 2021, MaxMem= 17179869184 cpu:              16.5 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   374 RedAO= T EigKep=  2.52D-06  NBF=   374
 NBsUse=   374 1.00D-06 EigRej= -1.00D+00 NBFU=   374
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   394   394   394   394   394 MxSgAt=    26 MxSgA2=    26.
 Leave Link  302 at Fri Jul  9 22:54:48 2021, MaxMem= 17179869184 cpu:               5.1 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul  9 22:54:49 2021, MaxMem= 17179869184 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "06_betapinene_STD_wB97XD-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul  9 22:54:49 2021, MaxMem= 17179869184 cpu:               4.9 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 17179869184 LenX= 17179550098 LenY= 17179394421
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -390.582670785921    
 DIIS: error= 1.42D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -390.582670785921     IErMin= 1 ErrMin= 1.42D-03
 ErrMax= 1.42D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.84D-03 BMatP= 4.84D-03
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.42D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.399 Goal=   None    Shift=    0.000
 GapD=    0.399 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.82D-02 MaxDP=3.09D+00              OVMax= 1.08D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.33D-02    CP:  1.47D+00
 E= -390.586610951213     Delta-E=       -0.003940165292 Rises=F Damp=F
 DIIS: error= 2.02D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -390.586610951213     IErMin= 2 ErrMin= 2.02D-04
 ErrMax= 2.02D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.06D-05 BMatP= 4.84D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.02D-03
 Coeff-Com: -0.539D-01 0.105D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.538D-01 0.105D+01
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=3.77D-03 MaxDP=4.94D-01 DE=-3.94D-03 OVMax= 2.82D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.48D-04    CP:  1.53D+00  1.13D+00
 E= -390.586698804861     Delta-E=       -0.000087853648 Rises=F Damp=F
 DIIS: error= 1.48D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -390.586698804861     IErMin= 3 ErrMin= 1.48D-04
 ErrMax= 1.48D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.64D-05 BMatP= 6.06D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.48D-03
 Coeff-Com: -0.248D-01 0.346D+00 0.679D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.248D-01 0.345D+00 0.679D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=2.38D-04 MaxDP=2.71D-02 DE=-8.79D-05 OVMax= 1.19D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.39D-05    CP:  1.54D+00  1.13D+00  1.04D+00
 E= -390.586713316367     Delta-E=       -0.000014511505 Rises=F Damp=F
 DIIS: error= 6.32D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -390.586713316367     IErMin= 4 ErrMin= 6.32D-05
 ErrMax= 6.32D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.26D-06 BMatP= 1.64D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.275D-02-0.194D-01 0.287D+00 0.736D+00
 Coeff:     -0.275D-02-0.194D-01 0.287D+00 0.736D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=8.22D-05 MaxDP=8.77D-03 DE=-1.45D-05 OVMax= 6.86D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.03D-05    CP:  1.54D+00  1.13D+00  1.10D+00  9.34D-01
 E= -390.586716710996     Delta-E=       -0.000003394629 Rises=F Damp=F
 DIIS: error= 1.45D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -390.586716710996     IErMin= 5 ErrMin= 1.45D-05
 ErrMax= 1.45D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.24D-07 BMatP= 3.26D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.142D-02-0.406D-01 0.407D-01 0.264D+00 0.734D+00
 Coeff:      0.142D-02-0.406D-01 0.407D-01 0.264D+00 0.734D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=1.38D-05 MaxDP=1.03D-03 DE=-3.39D-06 OVMax= 2.23D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.00D-06    CP:  1.54D+00  1.14D+00  1.11D+00  9.70D-01  1.08D+00
 E= -390.586716946194     Delta-E=       -0.000000235199 Rises=F Damp=F
 DIIS: error= 3.61D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -390.586716946194     IErMin= 6 ErrMin= 3.61D-06
 ErrMax= 3.61D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.67D-08 BMatP= 2.24D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.622D-03-0.994D-02-0.815D-02 0.280D-01 0.246D+00 0.743D+00
 Coeff:      0.622D-03-0.994D-02-0.815D-02 0.280D-01 0.246D+00 0.743D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=5.31D-06 MaxDP=7.32D-04 DE=-2.35D-07 OVMax= 6.33D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.54D-06    CP:  1.54D+00  1.13D+00  1.11D+00  9.80D-01  1.10D+00
                    CP:  1.03D+00
 E= -390.586716968093     Delta-E=       -0.000000021899 Rises=F Damp=F
 DIIS: error= 1.45D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -390.586716968093     IErMin= 7 ErrMin= 1.45D-06
 ErrMax= 1.45D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.38D-09 BMatP= 1.67D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.409D-04 0.554D-03-0.516D-02-0.139D-01-0.584D-02 0.193D+00
 Coeff-Com:  0.832D+00
 Coeff:      0.409D-04 0.554D-03-0.516D-02-0.139D-01-0.584D-02 0.193D+00
 Coeff:      0.832D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=2.94D-06 MaxDP=3.82D-04 DE=-2.19D-08 OVMax= 1.90D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  9.28D-07    CP:  1.54D+00  1.13D+00  1.11D+00  9.81D-01  1.11D+00
                    CP:  1.08D+00  1.10D+00
 E= -390.586716970109     Delta-E=       -0.000000002016 Rises=F Damp=F
 DIIS: error= 3.38D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -390.586716970109     IErMin= 8 ErrMin= 3.38D-07
 ErrMax= 3.38D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.74D-10 BMatP= 1.38D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.633D-04 0.140D-02-0.876D-03-0.806D-02-0.370D-01-0.208D-01
 Coeff-Com:  0.274D+00 0.791D+00
 Coeff:     -0.633D-04 0.140D-02-0.876D-03-0.806D-02-0.370D-01-0.208D-01
 Coeff:      0.274D+00 0.791D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=8.45D-07 MaxDP=1.05D-04 DE=-2.02D-09 OVMax= 9.25D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.99D-07    CP:  1.54D+00  1.13D+00  1.11D+00  9.81D-01  1.11D+00
                    CP:  1.09D+00  1.17D+00  1.18D+00
 E= -390.586716970415     Delta-E=       -0.000000000305 Rises=F Damp=F
 DIIS: error= 1.11D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -390.586716970415     IErMin= 9 ErrMin= 1.11D-07
 ErrMax= 1.11D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-11 BMatP= 1.74D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.148D-04 0.219D-03 0.213D-03 0.153D-03-0.688D-02-0.150D-01
 Coeff-Com: -0.275D-01 0.143D+00 0.906D+00
 Coeff:     -0.148D-04 0.219D-03 0.213D-03 0.153D-03-0.688D-02-0.150D-01
 Coeff:     -0.275D-01 0.143D+00 0.906D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=1.50D-07 MaxDP=5.75D-06 DE=-3.05D-10 OVMax= 2.81D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  8.14D-08    CP:  1.54D+00  1.13D+00  1.11D+00  9.81D-01  1.11D+00
                    CP:  1.09D+00  1.18D+00  1.28D+00  1.15D+00
 E= -390.586716970431     Delta-E=       -0.000000000016 Rises=F Damp=F
 DIIS: error= 2.62D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -390.586716970431     IErMin=10 ErrMin= 2.62D-08
 ErrMax= 2.62D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.09D-12 BMatP= 1.23D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.304D-05-0.938D-04 0.123D-03 0.943D-03 0.196D-02-0.581D-03
 Coeff-Com: -0.366D-01-0.458D-01 0.191D+00 0.890D+00
 Coeff:      0.304D-05-0.938D-04 0.123D-03 0.943D-03 0.196D-02-0.581D-03
 Coeff:     -0.366D-01-0.458D-01 0.191D+00 0.890D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=6.32D-08 MaxDP=5.20D-06 DE=-1.64D-11 OVMax= 9.83D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.30D-08    CP:  1.54D+00  1.13D+00  1.11D+00  9.81D-01  1.11D+00
                    CP:  1.09D+00  1.18D+00  1.30D+00  1.23D+00  1.28D+00
 E= -390.586716970453     Delta-E=       -0.000000000022 Rises=F Damp=F
 DIIS: error= 9.56D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -390.586716970453     IErMin=11 ErrMin= 9.56D-09
 ErrMax= 9.56D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-13 BMatP= 1.09D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.228D-05-0.508D-04 0.156D-04 0.295D-03 0.117D-02 0.139D-02
 Coeff-Com: -0.937D-02-0.251D-01-0.142D-01 0.291D+00 0.755D+00
 Coeff:      0.228D-05-0.508D-04 0.156D-04 0.295D-03 0.117D-02 0.139D-02
 Coeff:     -0.937D-02-0.251D-01-0.142D-01 0.291D+00 0.755D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=1.34D-08 MaxDP=1.70D-06 DE=-2.22D-11 OVMax= 2.63D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  7.07D-09    CP:  1.54D+00  1.13D+00  1.11D+00  9.81D-01  1.11D+00
                    CP:  1.09D+00  1.18D+00  1.30D+00  1.24D+00  1.34D+00
                    CP:  1.07D+00
 E= -390.586716970450     Delta-E=        0.000000000003 Rises=F Damp=F
 DIIS: error= 2.54D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -390.586716970453     IErMin=12 ErrMin= 2.54D-09
 ErrMax= 2.54D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.27D-15 BMatP= 1.23D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.281D-08 0.227D-05-0.716D-05-0.435D-04-0.628D-04 0.280D-03
 Coeff-Com:  0.207D-02 0.108D-02-0.212D-01-0.527D-01 0.109D+00 0.961D+00
 Coeff:      0.281D-08 0.227D-05-0.716D-05-0.435D-04-0.628D-04 0.280D-03
 Coeff:      0.207D-02 0.108D-02-0.212D-01-0.527D-01 0.109D+00 0.961D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=6.66D-09 MaxDP=7.53D-07 DE= 3.30D-12 OVMax= 9.96D-08

 SCF Done:  E(RwB97XD) =  -390.586716970     A.U. after   12 cycles
            NFock= 12  Conv=0.67D-08     -V/T= 2.0065
 KE= 3.880811614435D+02 PE=-2.045911346930D+03 EE= 6.962593240390D+02
 Leave Link  502 at Fri Jul  9 22:57:57 2021, MaxMem= 17179869184 cpu:            2249.0 elap:             188.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   374
 NBasis=   374 NAE=    38 NBE=    38 NFC=     0 NFV=     0
 NROrb=    374 NOA=    38 NOB=    38 NVA=   336 NVB=   336

 **** Warning!!: The largest alpha MO coefficient is  0.80590057D+02

 Leave Link  801 at Fri Jul  9 22:57:57 2021, MaxMem= 17179869184 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8043 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   17179869184 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          26
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.13D-13 8.33D-09 XBig12= 1.00D+00 1.77D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.13D-13 8.33D-09 XBig12= 1.34D-01 4.00D-02.
     11 vectors produced by pass  2 Test12= 2.13D-13 8.33D-09 XBig12= 2.33D-02 2.98D-02.
     11 vectors produced by pass  3 Test12= 2.13D-13 8.33D-09 XBig12= 2.61D-03 6.66D-03.
     11 vectors produced by pass  4 Test12= 2.13D-13 8.33D-09 XBig12= 1.99D-04 2.05D-03.
     11 vectors produced by pass  5 Test12= 2.13D-13 8.33D-09 XBig12= 1.24D-05 3.88D-04.
     11 vectors produced by pass  6 Test12= 2.13D-13 8.33D-09 XBig12= 4.21D-07 8.49D-05.
     11 vectors produced by pass  7 Test12= 2.13D-13 8.33D-09 XBig12= 1.32D-08 1.48D-05.
     11 vectors produced by pass  8 Test12= 2.13D-13 8.33D-09 XBig12= 2.66D-10 2.19D-06.
     10 vectors produced by pass  9 Test12= 2.13D-13 8.33D-09 XBig12= 6.70D-12 2.82D-07.
      8 vectors produced by pass 10 Test12= 2.13D-13 8.33D-09 XBig12= 1.27D-13 3.64D-08.
      2 vectors produced by pass 11 Test12= 2.13D-13 8.33D-09 XBig12= 1.52D-14 1.17D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   119 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.129508D+03
      2 -0.820693D+01  0.121303D+03
      3  0.454774D-01  0.106242D+01  0.105726D+03
 Isotropic polarizability for W=    0.093368      118.85 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1   0.141250D+02 -0.315867D+02  0.298923D+01
      2   0.187292D+02 -0.881706D+01 -0.682755D+01
      3  -0.328542D+02  0.404038D+02  0.383832D+01
      4  -0.766446D+02  0.608716D+02  0.134739D+02
      5   0.434810D+01  0.196186D+02 -0.197651D+02
      6   0.101382D+02 -0.375033D+01 -0.165181D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1   0.390850D+01 -0.418517D+01  0.323645D+01
      2   0.702314D+01  0.214860D+01 -0.700307D+01
      3   0.108299D+02 -0.103439D+02 -0.614882D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1   0.614464D+01  0.307722D+01  0.420556D+02
      2  -0.135887D+01  0.333569D+01  0.130891D+02
      3  -0.450579D+02 -0.421424D+02 -0.948034D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.463952D+00 -0.494700D+00 -0.389186D+01
      2  -0.494700D+00 -0.286236D+00  0.705088D+00
      3  -0.389186D+01  0.705088D+00  0.658465D+00
 OR G Eigenvalues:    -3.8371    -0.4479     4.1933  Iso=     0.0306
 Eigenvectors:
   (1)   0.753831  -0.025353   0.656579
   (2)   0.142236   0.981858  -0.125390
   (3)  -0.641489   0.187912   0.743762
 w=    0.093368 a.u., Optical Rotation Beta=      0.0306 au.
 Molar Mass =    136.2364 grams/mole, [Alpha] ( 4880.0 A) =       12.65 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   70125 ScalPx= 1.54D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   70125 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.52D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.55D-14 2.78D-09 XBig12= 1.00D+00 2.99D-01.
     30 vectors produced by pass  1 Test12= 3.55D-14 2.78D-09 XBig12= 1.59D-02 1.87D-02.
     30 vectors produced by pass  2 Test12= 3.55D-14 2.78D-09 XBig12= 1.10D-03 6.84D-03.
     30 vectors produced by pass  3 Test12= 3.55D-14 2.78D-09 XBig12= 2.22D-05 4.71D-04.
     30 vectors produced by pass  4 Test12= 3.55D-14 2.78D-09 XBig12= 4.39D-07 5.40D-05.
     30 vectors produced by pass  5 Test12= 3.55D-14 2.78D-09 XBig12= 6.64D-09 6.53D-06.
     30 vectors produced by pass  6 Test12= 3.55D-14 2.78D-09 XBig12= 6.22D-11 5.88D-07.
     30 vectors produced by pass  7 Test12= 3.55D-14 2.78D-09 XBig12= 4.64D-13 4.64D-08.
     10 vectors produced by pass  8 Test12= 3.55D-14 2.78D-09 XBig12= 7.23D-15 6.97D-09.
      3 vectors produced by pass  9 Test12= 3.55D-14 2.78D-09 XBig12= 1.55D-15 4.99D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.33D-15
 Solved reduced A of dimension   253 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   70125 ScalPx= 4.51D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   70125 ScalPx= 4.51D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   70125 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.07D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.129508D+03 -0.820693D+01  0.454774D-01
      2  -0.820693D+01  0.121303D+03  0.106242D+01
      3   0.454774D-01  0.106242D+01  0.105726D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.390850D+01 -0.418517D+01  0.323645D+01
      2   0.702314D+01  0.214860D+01 -0.700307D+01
      3   0.108299D+02 -0.103439D+02 -0.614882D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.141250D+02 -0.315867D+02  0.298923D+01
      2   0.187292D+02 -0.881706D+01 -0.682755D+01
      3  -0.328542D+02  0.404038D+02  0.383832D+01
      4  -0.766446D+02  0.608716D+02  0.134739D+02
      5   0.434810D+01  0.196186D+02 -0.197651D+02
      6   0.101382D+02 -0.375033D+01 -0.165181D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.141917D+01 -0.202646D+01 -0.165257D+01 -0.939197D+00  0.142413D+01
      2  -0.202646D+01 -0.138992D+01  0.112258D+01  0.142413D+01 -0.368901D+01
      3  -0.165257D+01  0.112258D+01 -0.253959D+01  0.188144D+01  0.122985D+01
                 6             7             8             9            10 
      1   0.188144D+01 -0.331386D+01  0.205225D+01 -0.338256D+01 -0.266902D-01
      2   0.122985D+01  0.205225D+01  0.260230D+01 -0.102436D+01  0.240439D+01
      3   0.140050D-01 -0.338256D+01 -0.102436D+01 -0.598202D+00  0.175725D+01
                11            12            13            14            15 
      1   0.240439D+01  0.175725D+01  0.215575D+01 -0.313068D+01 -0.933172D-01
      2  -0.327844D+01 -0.920059D-02 -0.313068D+01 -0.629538D+01  0.678746D+00
      3  -0.920059D-02  0.192985D+01 -0.933172D-01  0.678746D+00  0.101831D+01
                16            17            18            19            20 
      1   0.241699D+01  0.106517D+00  0.190724D+01 -0.136653D+02  0.101924D+02
      2   0.106517D+00  0.155207D+01 -0.150690D+00  0.101924D+02 -0.870129D+01
      3   0.190724D+01 -0.150690D+00 -0.544796D+01  0.350171D+01 -0.483415D+00
                21            22            23            24            25 
      1   0.350171D+01  0.992226D+01 -0.891593D+01 -0.198429D+01  0.284925D+00
      2  -0.483415D+00 -0.891593D+01  0.115344D+02 -0.215134D+01  0.322781D+00
      3  -0.202759D+01 -0.198429D+01 -0.215134D+01  0.286735D+01 -0.870674D+00
                26            27            28            29            30 
      1   0.322781D+00 -0.870674D+00  0.806131D+01 -0.741155D+01 -0.598319D+01
      2  -0.175751D+01  0.988623D+00 -0.741155D+01  0.830099D+01  0.242504D+01
      3   0.988623D+00  0.244413D-01 -0.598319D+01  0.242504D+01  0.296261D+01
                31            32            33            34            35 
      1  -0.103680D+02  0.942171D+01  0.953862D+00 -0.675710D+01  0.137432D+01
      2   0.942171D+01 -0.100704D+02  0.395973D+01  0.137432D+01  0.501939D+01
      3   0.953862D+00  0.395973D+01 -0.291535D+01  0.381665D+01 -0.346661D+01
                36            37            38            39            40 
      1   0.381665D+01  0.117239D+02 -0.584007D+01 -0.394536D+01 -0.230015D+01
      2  -0.346661D+01 -0.584007D+01  0.371054D+01 -0.601559D+00  0.278391D+01
      3  -0.103525D+01 -0.394536D+01 -0.601559D+00  0.254378D+01 -0.836451D+00
                41            42            43            44            45 
      1   0.278391D+01 -0.836451D+00 -0.706188D+01  0.441468D+00  0.300083D+01
      2   0.762217D+00  0.547288D+01  0.441468D+00  0.490523D+01  0.112001D+01
      3   0.547288D+01  0.732012D+00  0.300083D+01  0.112001D+01 -0.134259D+01
                46            47            48            49            50 
      1  -0.414692D+01  0.322237D+01  0.595849D+01  0.417790D+01 -0.474952D+01
      2   0.322237D+01 -0.281407D+01  0.102015D+00 -0.474952D+01 -0.708248D+01
      3   0.595849D+01  0.102015D+00 -0.232994D+01 -0.239277D+00 -0.445539D+00
                51            52            53            54            55 
      1  -0.239277D+00  0.111341D+02 -0.195554D+01 -0.268023D+01  0.170912D+01
      2  -0.445539D+00 -0.195554D+01  0.104112D+01  0.240726D+01 -0.330070D+01
      3   0.188786D+01 -0.268023D+01  0.240726D+01 -0.102233D+01 -0.246971D+01
                56            57            58            59            60 
      1  -0.330070D+01 -0.246971D+01 -0.324876D+01  0.585816D+01  0.342955D-01
      2   0.547558D+01 -0.156207D+00  0.585816D+01  0.386782D+01 -0.232100D+01
      3  -0.156207D+00 -0.143579D+01  0.342955D-01 -0.232100D+01  0.173366D+01
                61            62            63            64            65 
      1  -0.245127D+01 -0.641495D+00 -0.161440D+01 -0.733054D-01 -0.973480D+00
      2  -0.641495D+00 -0.285578D+01  0.429881D+00 -0.973480D+00 -0.387857D+01
      3  -0.161440D+01  0.429881D+00  0.488863D+01  0.407235D+01  0.263887D+01
                66            67            68            69            70 
      1   0.407235D+01  0.740508D+00 -0.427905D+01  0.315864D+01  0.362784D+01
      2   0.263887D+01 -0.427905D+01  0.398567D+01 -0.124255D+01  0.179498D+01
      3   0.174666D+01  0.315864D+01 -0.124255D+01 -0.269937D+01  0.137525D+01
                71            72            73            74            75 
      1   0.179498D+01  0.137525D+01  0.432715D+01  0.580709D+00  0.251662D+01
      2  -0.386384D+00 -0.222653D+01  0.580709D+00  0.126573D+01  0.437055D+00
      3  -0.222653D+01 -0.157701D+01  0.251662D+01  0.437055D+00  0.238576D+01
                76            77            78            79            80 
      1  -0.730980D+00  0.681404D+00 -0.536643D+00  0.379687D+01  0.249316D+00
      2   0.681404D+00 -0.645346D-01  0.526134D+00  0.249316D+00  0.648661D+00
      3  -0.536643D+00  0.526134D+00 -0.290866D+00  0.316204D+01  0.829927D+00
                81            82            83            84            85 
      1   0.316204D+01  0.904610D+00  0.142842D+01 -0.938374D-01  0.149862D+01
      2   0.829927D+00  0.142842D+01  0.182308D+01  0.206985D+00  0.202169D+01
      3   0.418512D+01 -0.938374D-01  0.206985D+00 -0.784421D-01  0.251974D+00
                86            87            88            89            90 
      1   0.202169D+01  0.251974D+00 -0.644193D+00 -0.206477D+00 -0.275559D-01
      2   0.116991D+02  0.816808D+00 -0.206477D+00 -0.134235D+01  0.113670D+01
      3   0.816808D+00  0.100783D+01 -0.275559D-01  0.113670D+01  0.442995D+00
                91            92            93            94            95 
      1  -0.756469D+00 -0.105423D+00  0.923863D+00 -0.376321D+00  0.433235D-01
      2  -0.105423D+00  0.692810D-01 -0.294332D+00  0.433235D-01  0.732633D+00
      3   0.923863D+00 -0.294332D+00 -0.123044D+01 -0.118334D-02  0.870983D+00
                96            97            98            99           100 
      1  -0.118334D-02  0.128871D+01 -0.576211D-01 -0.904299D+00  0.908498D+01
      2   0.870983D+00 -0.576211D-01  0.155632D+01  0.179713D+01 -0.242951D+01
      3  -0.171577D+00 -0.904299D+00  0.179713D+01  0.841951D+01  0.293767D+01
               101           102           103           104           105 
      1  -0.242951D+01  0.293767D+01 -0.692834D+00  0.143553D+01  0.508551D+00
      2   0.179681D+01 -0.848245D+00  0.143553D+01 -0.156099D+01 -0.289105D+00
      3  -0.848245D+00  0.149620D+01  0.508551D+00 -0.289105D+00  0.435016D-01
               106           107           108           109           110 
      1   0.531687D+01 -0.831420D+00  0.130436D+01  0.106373D+01 -0.113738D+01
      2  -0.831420D+00 -0.461944D-01  0.442027D-01 -0.113738D+01 -0.790860D+00
      3   0.130436D+01  0.442027D-01  0.101101D+01  0.194901D+00 -0.110798D+01
               111           112           113           114           115 
      1   0.194901D+00 -0.154075D+01  0.142162D+01  0.425233D+00  0.680215D-01
      2  -0.110798D+01  0.142162D+01 -0.810148D+01 -0.303908D+01 -0.138815D+00
      3  -0.589758D+00  0.425233D+00 -0.303908D+01 -0.185420D+01 -0.298447D+00
               116           117           118           119           120 
      1  -0.138815D+00 -0.298447D+00 -0.518052D+00 -0.954132D+00 -0.486129D+00
      2  -0.417594D+01 -0.146324D+01 -0.954132D+00 -0.783920D+00 -0.381901D+00
      3  -0.146324D+01 -0.118054D+01 -0.486129D+00 -0.381901D+00 -0.695616D+00
               121           122           123           124           125 
      1  -0.166202D+01 -0.547901D+00 -0.498647D+00  0.856330D-02 -0.473580D+00
      2  -0.547901D+00 -0.534479D+01 -0.329263D+01 -0.473580D+00 -0.258904D+01
      3  -0.498647D+00 -0.329263D+01 -0.288095D+01 -0.579297D+00 -0.261709D+01
               126           127           128           129           130 
      1  -0.579297D+00 -0.242347D+01 -0.154015D+01 -0.460873D+01 -0.190923D+01
      2  -0.261709D+01 -0.154015D+01  0.129466D+01  0.206435D+00  0.208403D+01
      3  -0.352753D+01 -0.460873D+01  0.206435D+00  0.220844D+01  0.658598D+00
               131           132           133           134           135 
      1   0.208403D+01  0.658598D+00 -0.462610D+01  0.515974D+00  0.221446D+01
      2   0.665033D+01 -0.711733D+00  0.515974D+00  0.278174D+00 -0.272704D+01
      3  -0.711733D+00 -0.300436D+01  0.221446D+01 -0.272704D+01  0.287945D+00
               136           137           138           139           140 
      1  -0.527586D+00 -0.250262D+01 -0.420630D+01 -0.359772D+01  0.313729D+01
      2  -0.250262D+01  0.119419D+01  0.140246D+00  0.313729D+01  0.658180D+01
      3  -0.420630D+01  0.140246D+00  0.201573D+01  0.351758D+00  0.944083D+00
               141           142           143           144           145 
      1   0.351758D+00 -0.588195D+01  0.905644D+00  0.309281D+01 -0.606876D+01
      2   0.944083D+00  0.905644D+00  0.368730D+00 -0.259448D+01  0.419510D+01
      3  -0.289354D+01  0.309281D+01 -0.259448D+01  0.272999D+01  0.966760D+00
               146           147           148           149           150 
      1   0.419510D+01  0.966760D+00  0.322330D+01 -0.368783D+01 -0.231655D+00
      2  -0.448414D+01 -0.539671D+00 -0.368783D+01  0.512977D+01  0.909657D+00
      3  -0.539671D+00 -0.828270D+00 -0.231655D+00  0.909657D+00  0.749937D+00
               151           152           153           154           155 
      1   0.104388D+01 -0.368239D+00 -0.879380D+00 -0.403234D+01  0.104521D+01
      2  -0.368239D+00  0.110354D+01  0.118857D+01  0.104521D+01 -0.801802D+00
      3  -0.879380D+00  0.118857D+01  0.337491D+00 -0.345009D+01  0.481818D+00
               156           157           158           159           160 
      1  -0.345009D+01  0.184943D-01 -0.287218D+00 -0.104793D+00 -0.305706D+01
      2   0.481818D+00 -0.287218D+00  0.222966D+00 -0.859450D+00  0.414811D+00
      3  -0.381082D+01 -0.104793D+00 -0.859450D+00  0.528320D+00 -0.305731D+01
               161           162           163           164           165 
      1   0.414811D+00 -0.305731D+01  0.285718D+01  0.189282D+01 -0.241512D+01
      2  -0.112103D+01  0.126387D+01  0.189282D+01  0.271543D+01 -0.208052D+01
      3   0.126387D+01 -0.539720D+01 -0.241512D+01 -0.208052D+01  0.292604D+01
               166           167           168           169           170 
      1   0.116747D+01  0.190862D+01 -0.123702D+01 -0.134693D+01 -0.109127D+01
      2   0.190862D+01  0.288331D+01 -0.208480D+01 -0.109127D+01 -0.152343D+01
      3  -0.123702D+01 -0.208480D+01  0.246158D+01  0.128281D+01  0.214219D+01
               171           172           173           174           175 
      1   0.128281D+01  0.506715D+01  0.597517D+00  0.176756D+01  0.754085D+00
      2   0.214219D+01  0.597517D+00  0.866345D+00 -0.260574D+00  0.408328D+00
      3  -0.335325D+01  0.176756D+01 -0.260574D+00  0.261211D+01 -0.912491D-01
               176           177           178           179           180 
      1   0.408328D+00 -0.912491D-01  0.180190D+01 -0.206169D-01  0.131061D+01
      2  -0.414942D+00  0.341036D+00 -0.206169D-01  0.351791D+00  0.257385D+00
      3   0.341036D+00  0.609824D+00  0.131061D+01  0.257385D+00  0.210001D+01
               181           182           183           184           185 
      1  -0.452191D+00 -0.956843D+00  0.723653D+00 -0.141120D+01 -0.175105D+01
      2  -0.956843D+00 -0.975979D+00  0.175008D+00 -0.175105D+01 -0.852793D+01
      3   0.723653D+00  0.175008D+00 -0.591011D+00  0.413090D+00  0.214120D+01
               186           187           188           189           190 
      1   0.413090D+00  0.239331D+00 -0.118489D+00 -0.373952D+00 -0.368875D+01
      2   0.214120D+01 -0.118489D+00 -0.388718D-01 -0.667357D+00  0.504100D+00
      3  -0.181473D+01 -0.373952D+00 -0.667357D+00  0.336622D+00  0.340095D+01
               191           192           193           194           195 
      1   0.504100D+00  0.340095D+01  0.152854D+01 -0.933329D+00 -0.120618D+01
      2  -0.109052D+01 -0.210515D+00 -0.933329D+00  0.268930D+00  0.981663D+00
      3  -0.210515D+00 -0.409227D+01 -0.120618D+01  0.981663D+00  0.231247D+01
               196           197           198           199           200 
      1   0.259722D+01 -0.251930D+00 -0.308199D+01 -0.132513D+01  0.803133D+00
      2  -0.251930D+00  0.690914D+00  0.755398D+00  0.803133D+00 -0.349697D+00
      3  -0.308199D+01  0.755398D+00  0.548771D+01 -0.116058D+01  0.300328D+00
               201           202           203           204           205 
      1  -0.116058D+01  0.177135D+01 -0.614357D+00  0.584007D+00 -0.257967D+01
      2   0.300328D+00 -0.614357D+00  0.351810D+00 -0.108436D+01  0.672682D-01
      3  -0.159310D+01  0.584007D+00 -0.108436D+01  0.171633D+01 -0.265174D+01
               206           207           208           209           210 
      1   0.672682D-01 -0.265174D+01 -0.714050D+01  0.996524D+00  0.262024D+01
      2  -0.133633D+01  0.132774D+01  0.996524D+00 -0.936101D+00 -0.473150D+00
      3   0.132774D+01 -0.561878D+01  0.262024D+01 -0.473150D+00 -0.183298D+01
               211           212           213           214           215 
      1   0.310137D+01 -0.165849D+01 -0.832448D+00  0.562850D+01 -0.593561D+00
      2  -0.165849D+01  0.319495D+00  0.572497D+00 -0.593561D+00  0.939798D+00
      3  -0.832448D+00  0.572497D+00  0.107773D+01 -0.273999D+01  0.709004D+00
               216           217           218           219           220 
      1  -0.273999D+01 -0.124523D+01 -0.100482D+01  0.208189D+00 -0.318026D+01
      2   0.709004D+00 -0.100482D+01 -0.907512D+00 -0.765123D-01 -0.358448D+01
      3   0.223175D+01  0.208189D+00 -0.765123D-01 -0.231387D+00 -0.504448D+00
               221           222           223           224           225 
      1  -0.358448D+01 -0.504448D+00  0.382523D+00 -0.229675D+00 -0.861724D+00
      2  -0.812486D+01 -0.745192D+00 -0.229675D+00 -0.447593D+00 -0.722682D+00
      3  -0.745192D+00 -0.102659D+01 -0.861724D+00 -0.722682D+00 -0.462434D+00
               226           227           228           229           230 
      1   0.271068D+01  0.232048D+01 -0.107859D+01  0.189778D+01  0.151008D+01
      2   0.232048D+01  0.267018D+01 -0.712606D+00  0.151008D+01  0.428662D+01
      3  -0.107859D+01 -0.712606D+00  0.107982D+01 -0.823849D+00 -0.117848D+01
               231           232           233           234 
      1  -0.823849D+00 -0.191625D+01 -0.126660D+01  0.153650D+01
      2  -0.117848D+01 -0.126660D+01 -0.343757D+01  0.126216D+01
      3   0.790812D+00  0.153650D+01  0.126216D+01 -0.192013D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.181245D+01 -0.168272D+01  0.298178D+01  0.714819D+00 -0.328408D+01
      2  -0.665106D+01  0.747608D+01 -0.436058D+01  0.620751D+01  0.496414D+01
      3   0.884431D+01 -0.844807D+01 -0.723159D+01 -0.273893D+01  0.504069D+01
                 6             7             8             9            10 
      1  -0.116627D+01  0.330618D+01  0.944020D+01  0.254827D+01 -0.194652D+01
      2  -0.319610D+00 -0.922608D+01 -0.599148D+01 -0.109530D+00  0.217081D+01
      3  -0.176438D+01 -0.992024D+01 -0.273363D+01 -0.267711D+01 -0.765062D+00
                11            12            13            14            15 
      1  -0.307190D+01 -0.429430D+01 -0.290482D+01 -0.105631D+02 -0.393106D+01
      2  -0.242260D+01  0.450938D-01 -0.328867D+01  0.228753D+01  0.588156D+00
      3   0.772825D+01  0.490725D+01  0.120110D+02 -0.491617D+01 -0.228956D+00
                16            17            18            19            20 
      1  -0.520796D+01  0.522127D+01  0.144080D+02 -0.211226D+01  0.243717D+01
      2  -0.502612D+01  0.672532D+00 -0.506514D+01  0.221734D+01  0.660857D+01
      3   0.660202D+01  0.917392D-01  0.325161D+01  0.356254D+01 -0.132476D+01
                21            22            23            24            25 
      1  -0.655098D+01 -0.132128D+01 -0.950215D+01  0.744838D+01 -0.863736D+01
      2  -0.539287D+01  0.251026D+01 -0.734583D+01  0.824015D+01 -0.137124D+02
      3  -0.487179D+01  0.117279D+02 -0.180476D+02  0.792284D+01  0.797407D+00
                26            27            28            29            30 
      1   0.139993D+02  0.221532D+01 -0.852715D+01 -0.695211D+00  0.592275D+01
      2   0.772082D+01 -0.229803D+01 -0.815309D+01  0.373916D+01  0.753895D+01
      3   0.316493D+01 -0.260037D+00  0.827970D+01 -0.140516D+02  0.431244D+01
                31            32            33            34            35 
      1  -0.351371D+01  0.115535D+02 -0.903482D+01  0.223299D+01 -0.788642D+00
      2  -0.224157D+01  0.152405D+02 -0.867942D+01 -0.645088D+00 -0.492434D+01
      3  -0.134749D+01  0.641949D+01 -0.122077D+02  0.907818D+01 -0.166520D+02
                36            37            38            39            40 
      1   0.288751D+01 -0.102325D+01 -0.171616D+01  0.276786D+01 -0.451114D+01
      2  -0.243783D+01  0.105324D+02 -0.731442D+01 -0.188933D+01 -0.300913D+01
      3   0.234258D+01 -0.185389D+01 -0.624162D+00  0.169546D+01  0.839175D+01
                41            42            43            44            45 
      1   0.779654D+01 -0.911278D+01  0.634985D+01 -0.433497D+01 -0.248520D+01
      2   0.356796D+01 -0.176514D+01 -0.156943D+02  0.470789D+01  0.362149D+01
      3  -0.429985D+01 -0.192277D+01  0.264341D+01  0.643165D+00 -0.228485D+01
                46            47            48            49            50 
      1   0.383464D+01 -0.393371D+00 -0.158637D+01 -0.176817D+01 -0.384464D+01
      2  -0.132655D+02  0.960985D+00  0.879477D+01  0.288923D+01 -0.898335D+00
      3   0.391168D+01 -0.101390D+02 -0.175712D+01 -0.118247D+01 -0.132797D+02
                51            52            53            54            55 
      1  -0.153493D+01 -0.358750D+01  0.773382D+01  0.710597D+00  0.362027D+01
      2  -0.356487D+01  0.334537D+01 -0.741514D+01  0.413996D+01  0.258181D+01
      3  -0.121915D+01 -0.504106D+01  0.642481D+00  0.747124D+01 -0.299314D+01
                56            57            58            59            60 
      1   0.164408D+01  0.514276D+01  0.232936D+01  0.428748D+01 -0.489693D+01
      2   0.239316D+01  0.407336D+01  0.149406D+01  0.193787D+01 -0.128536D+01
      3  -0.445797D+01 -0.414236D+01  0.307339D+01  0.131614D+02 -0.208100D+01
                61            62            63            64            65 
      1   0.340076D+01  0.195303D+01 -0.112579D+02 -0.155996D+01  0.387120D+01
      2  -0.136836D+01 -0.239870D+01 -0.572669D+01 -0.258879D+01 -0.587247D+01
      3  -0.536414D+01 -0.372035D+01 -0.347292D+01  0.397875D+00 -0.724789D+01
                66            67            68            69            70 
      1  -0.102208D+02  0.691762D+01 -0.848091D+01  0.421811D+01 -0.743945D+01
      2   0.116498D+02 -0.328234D+01 -0.741013D+01  0.904074D+01  0.417959D+01
      3   0.758478D+01 -0.156590D+01 -0.140760D+01  0.341574D+01  0.517880D+01
                71            72            73            74            75 
      1   0.743638D+01  0.903415D+01 -0.286728D+01  0.653835D+00 -0.286222D+01
      2   0.695512D+01  0.658429D+01  0.247057D+01  0.136792D+01  0.607028D+01
      3   0.173419D+01  0.165550D+01  0.369256D+01 -0.381463D+01  0.225064D+01
                76            77            78            79            80 
      1   0.241845D+00  0.116589D-01 -0.164295D+00 -0.303969D+01  0.124457D+01
      2  -0.516927D+00  0.481170D+00 -0.832393D+00  0.279204D+01  0.202219D+01
      3  -0.289784D+00  0.218317D+01 -0.111809D+01  0.450264D+01 -0.251266D+01
                81            82            83            84            85 
      1  -0.440838D+01  0.160929D+01  0.181190D+01  0.542571D-01  0.115596D+01
      2   0.883022D+01 -0.963054D+00 -0.107505D+01  0.144796D+01 -0.166555D+01
      3   0.237130D+01  0.199023D+01  0.180761D+00 -0.598191D+00  0.579684D+01
                86            87            88            89            90 
      1   0.935288D+01 -0.484952D+01  0.146691D+00 -0.221413D+01  0.216295D+00
      2  -0.138384D+01  0.827039D+00 -0.666064D-01  0.478445D+00  0.135899D+00
      3  -0.279013D+01  0.348687D+00 -0.189202D+01  0.602423D+00 -0.577020D+00
                91            92            93            94            95 
      1  -0.230326D+01 -0.377566D+00  0.275700D+01 -0.529207D+00 -0.128949D+01
      2   0.136178D+01  0.392791D+00 -0.621861D+00  0.101885D+01  0.467035D+00
      3  -0.218125D+01 -0.212501D+01  0.172537D+01 -0.656119D+00  0.864990D+00
                96            97            98            99           100 
      1   0.122951D+01  0.235798D+01  0.163836D+01 -0.175190D+02  0.743981D+01
      2  -0.395856D+00 -0.539147D+01  0.840643D+00  0.540496D+01  0.104228D+02
      3  -0.522092D+00  0.364507D+01 -0.650398D+00 -0.217232D+01 -0.104618D+02
               101           102           103           104           105 
      1  -0.106895D+01  0.343926D+01  0.373656D+00  0.241112D+00 -0.110639D+00
      2  -0.484330D+01  0.832657D+01  0.134696D+01 -0.142237D+01  0.539699D+00
      3  -0.327926D+01 -0.356610D+01 -0.986169D+00  0.100872D+01 -0.147435D-01
               106           107           108           109           110 
      1   0.310623D+01  0.887001D+00  0.144387D+01  0.207631D+01 -0.197449D+01
      2   0.200668D+01  0.233871D+01  0.493702D+01 -0.154160D+00 -0.279852D+01
      3  -0.883716D+01  0.107539D+01 -0.186147D+01  0.242820D+01  0.328291D+01
               111           112           113           114           115 
      1  -0.184075D+01  0.149249D+01 -0.266831D+01 -0.554290D+01 -0.221307D+01
      2  -0.844700D+00 -0.136205D+01 -0.706187D+01 -0.386175D+01 -0.992088D+00
      3   0.251281D+01  0.218278D+01  0.187092D+02  0.762648D+01  0.112183D+01
               116           117           118           119           120 
      1   0.156688D+01 -0.322254D+01  0.723350D+00  0.561458D+00 -0.126746D+00
      2  -0.463519D+01 -0.216826D+01 -0.540764D+00 -0.593581D+00  0.852706D+00
      3   0.121697D+02  0.385622D+01  0.526153D-01 -0.831626D+00 -0.830681D-01
               121           122           123           124           125 
      1  -0.279688D+00  0.577827D+01 -0.129789D+01 -0.584779D-02  0.338410D+01
      2  -0.299918D+01 -0.269367D+00  0.242342D+00 -0.253784D+01 -0.537663D+00
      3   0.490933D+01  0.509952D-01  0.187579D+00  0.133544D+01  0.136722D+00
               126           127           128           129           130 
      1  -0.878585D+00 -0.872143D+01  0.238544D+01  0.283347D+01  0.574183D+01
      2  -0.394596D+00  0.128164D+02  0.132773D+01  0.958330D+01  0.221817D+01
      3   0.261621D+00  0.204728D+01  0.138199D+01  0.648996D+01  0.590943D+01
               131           132           133           134           135 
      1   0.143690D+02 -0.866773D+01  0.321761D+01 -0.426960D+00 -0.609581D+01
      2  -0.228293D+01  0.250700D+01  0.515054D+01  0.302069D+01 -0.455197D+01
      3   0.685721D+01 -0.102703D+01  0.650840D+01  0.153729D+00 -0.587454D+01
               136           137           138           139           140 
      1  -0.197259D+01  0.916899D-01  0.239825D+01 -0.106213D+01 -0.139694D+01
      2   0.109890D+02 -0.232426D+01 -0.725474D+01 -0.315135D+01 -0.206848D+01
      3  -0.843284D+01  0.484213D+01  0.367909D+01  0.143009D+02  0.195090D+02
               141           142           143           144           145 
      1  -0.521220D+01  0.380962D+01 -0.952725D+00  0.395496D+01 -0.163813D+01
      2   0.932098D+01 -0.176949D+02  0.899919D+01 -0.105032D+02  0.282076D-01
      3   0.333034D+01  0.389797D+01  0.285144D+01 -0.116698D+02 -0.735813D+01
               146           147           148           149           150 
      1   0.230944D+00  0.314460D+01  0.430000D+00 -0.137631D+01 -0.410418D+01
      2   0.525128D+00  0.347308D+01 -0.453745D+00 -0.530625D+00 -0.234413D+01
      3  -0.103923D+01  0.922809D+00  0.467491D+01  0.182764D+00  0.191284D+00
               151           152           153           154           155 
      1   0.163187D+01 -0.614731D+00 -0.568775D+00  0.230440D+01  0.244974D+01
      2  -0.322213D+00 -0.115105D+01 -0.503931D+00 -0.783011D+01  0.155537D+01
      3   0.162056D+01  0.107371D+01 -0.196102D+00 -0.484817D+01 -0.119427D+01
               156           157           158           159           160 
      1   0.462532D+01  0.691137D+00  0.954760D+00 -0.147566D+00  0.356937D+01
      2  -0.344951D+01  0.736669D+00  0.244225D+00 -0.154206D+01 -0.750025D+01
      3  -0.384148D+01  0.148961D+01  0.448813D+00 -0.959273D+00 -0.372389D+01
               161           162           163           164           165 
      1   0.277492D+01  0.321409D+01 -0.144454D+01 -0.472934D+01 -0.480642D+00
      2  -0.795486D+00 -0.163498D+01  0.912867D+01  0.466164D+01 -0.371584D+01
      3  -0.159094D+01 -0.269275D+01  0.561065D+01  0.147549D+01 -0.329403D+01
               166           167           168           169           170 
      1  -0.220089D+01 -0.385042D+01 -0.149061D+01  0.437393D+00  0.242723D+01
      2   0.449334D+01  0.481690D+01 -0.306506D+01 -0.482806D+01 -0.320841D+01
      3   0.451598D+01  0.198756D+01 -0.231837D+01 -0.286636D+01 -0.571774D+00
               171           172           173           174           175 
      1  -0.551233D-02  0.403936D+01  0.331891D+01  0.209142D+01  0.200115D+01
      2   0.288682D+01 -0.173590D+02 -0.168063D+01 -0.366834D+01 -0.202242D+01
      3   0.227557D+01 -0.704159D+01 -0.218449D+01 -0.249550D+01  0.462793D+00
               176           177           178           179           180 
      1   0.529712D+00  0.306178D+00  0.203738D+01  0.210846D+01  0.243509D+01
      2  -0.158694D+01 -0.499660D+00 -0.693793D+01 -0.536410D+00 -0.359596D+01
      3  -0.117038D+01  0.876408D-01 -0.249694D+01 -0.748793D+00 -0.144825D+01
               181           182           183           184           185 
      1  -0.100110D+01 -0.181824D+01 -0.630146D+00 -0.305311D+01 -0.157842D+02
      2  -0.629151D+00  0.982736D+00  0.554742D+00  0.281090D+01 -0.297403D+00
      3  -0.102401D+01 -0.101959D+01 -0.428647D-02  0.314299D+01 -0.883121D+01
               186           187           188           189           190 
      1  -0.145682D+01 -0.455278D+00  0.560655D+00 -0.115541D+01  0.504732D+01
      2   0.198954D+01 -0.943404D+00  0.263092D+00  0.436760D+00  0.406805D+01
      3   0.226948D+01 -0.211356D+00 -0.322640D+00 -0.159123D+00  0.365734D+01
               191           192           193           194           195 
      1  -0.398379D+01 -0.488637D+01 -0.291071D+01  0.223264D+01  0.322262D+01
      2  -0.108109D+01  0.668554D+00 -0.236135D+01  0.110646D+00 -0.122086D+01
      3  -0.356709D+01 -0.338626D+01 -0.151904D+01  0.142918D+01  0.206143D+01
               196           197           198           199           200 
      1  -0.405451D+01  0.456552D+01  0.712451D+01 -0.166441D+01  0.744657D+00
      2  -0.493034D+01 -0.182118D-01 -0.941786D+00  0.279564D+01  0.544298D-01
      3  -0.289792D+01  0.227198D+01  0.370141D+01  0.299214D+01 -0.187834D+01
               201           202           203           204           205 
      1  -0.100914D+01  0.351758D+00 -0.160688D+01  0.131249D+01 -0.130553D+01
      2   0.482592D+01  0.689173D+00  0.340475D+01 -0.631600D+01  0.295745D+01
      3   0.149284D+01 -0.943193D+00  0.213661D+01 -0.383128D+01  0.115868D+01
               206           207           208           209           210 
      1   0.451222D+01 -0.504759D+01  0.174332D+01 -0.873335D+00 -0.898560D+00
      2  -0.528510D+01  0.174278D+02 -0.931643D+01  0.170196D+01  0.963619D+01
      3  -0.572203D+01  0.631320D+01  0.793763D+01 -0.637728D+01 -0.299907D+01
               211           212           213           214           215 
      1  -0.312593D+00  0.837778D+00 -0.301368D+00 -0.174635D+01  0.164460D+01
      2   0.295394D+01 -0.222271D+01 -0.439702D+01  0.775854D+01 -0.265575D+01
      3  -0.468129D+01  0.227239D+01  0.210706D+01 -0.425619D+01  0.459532D+01
               216           217           218           219           220 
      1   0.933883D+00  0.531110D+00  0.366383D+00 -0.488829D+00  0.368086D+00
      2  -0.872111D+01 -0.711616D+00 -0.165575D-01  0.192848D+01  0.265650D+00
      3   0.397701D+01 -0.261173D+01 -0.368417D+01 -0.562879D+00 -0.445835D+01
               221           222           223           224           225 
      1   0.263265D+01 -0.382530D+01 -0.522152D+00  0.493421D+00 -0.387287D+00
      2   0.104994D+01  0.385703D+01  0.165836D+01  0.138019D+01  0.107798D+01
      3  -0.233107D+02 -0.171211D+01 -0.959540D+00 -0.158213D+01 -0.130759D+01
               226           227           228           229           230 
      1   0.200024D+01  0.181766D+01 -0.228289D+01  0.153327D+01  0.253583D+01
      2  -0.339636D+01 -0.319152D+01  0.459514D+01 -0.328044D+01 -0.379185D+01
      3  -0.172495D+01 -0.226831D+01  0.722303D+00  0.255069D+01 -0.831034D+01
               231           232           233           234 
      1  -0.375664D+01 -0.149740D+01 -0.359450D+01  0.244341D+01
      2   0.293650D+01  0.319734D+01  0.425491D+01 -0.684945D+01
      3   0.139765D+01  0.376413D+00  0.560045D+01 -0.823415D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.567244D+01 -0.103596D+02 -0.667207D+01 -0.293931D+01  0.339488D+00
      2   0.558202D+01  0.670710D+01  0.897077D+01  0.116234D+01  0.120959D+01
      3   0.904262D-01  0.365253D+01 -0.229870D+01  0.177697D+01 -0.154908D+01
      4  -0.696463D+01 -0.176954D+02  0.276386D+01 -0.282393D+01 -0.213411D+02
      5  -0.891361D+01  0.419533D+00 -0.165070D+02  0.684577D+01  0.479368D+01
      6  -0.196251D+01  0.823148D+01 -0.203161D+01  0.489184D+01  0.411422D+01
                 6             7             8             9            10 
      1   0.790964D+01 -0.869328D+01  0.812597D+01 -0.132915D+02 -0.692519D+01
      2  -0.244171D+01  0.121904D+02  0.353459D-01  0.112714D+02  0.611654D+01
      3  -0.546793D+01 -0.349712D+01 -0.816131D+01  0.202008D+01  0.808649D+00
      4   0.793660D+01  0.804430D+01  0.181614D+02 -0.113906D+02 -0.283636D+00
      5   0.151688D+01 -0.208013D+02 -0.526424D+01 -0.841188D+01  0.239214D+01
      6  -0.226444D+01 -0.565054D+01 -0.652386D+01 -0.290835D+00  0.821142D+01
                11            12            13            14            15 
      1   0.939599D+01 -0.135581D+01  0.129255D+02  0.205891D+02 -0.283452D+01
      2  -0.133522D+02 -0.488702D+00 -0.153414D+02 -0.429376D+02  0.927429D+00
      3   0.395625D+01  0.184451D+01  0.241590D+01  0.223485D+02  0.190709D+01
      4  -0.220060D+01  0.256008D+01  0.225394D+01 -0.134978D+02 -0.532347D+00
      5   0.166073D+01  0.136066D+01  0.137951D+01 -0.345128D+01  0.832028D+00
      6  -0.169957D+01  0.725917D+01 -0.334976D+01 -0.272854D+01  0.454649D+01
                16            17            18            19            20 
      1  -0.137516D+01 -0.463635D+01  0.145899D+02 -0.201129D+02  0.102744D+02
      2  -0.344471D+01  0.116861D+02  0.831057D+01 -0.585828D+01  0.124745D+02
      3   0.481987D+01 -0.704976D+01 -0.229004D+02  0.259712D+02 -0.227489D+02
      4   0.270976D+01 -0.154591D+01  0.415661D+01  0.589692D+02 -0.427928D+02
      5   0.423700D+01  0.100193D+01  0.320815D+01  0.244107D+02 -0.774479D+01
      6   0.609927D+01  0.192354D+01 -0.169609D+02 -0.110681D+02  0.128269D+01
                21            22            23            24            25 
      1   0.139988D+02  0.247738D+02 -0.186292D+02 -0.118431D+02 -0.147430D+01
      2  -0.998497D+01 -0.318958D+01 -0.928850D+01  0.166403D+02 -0.868651D+00
      3  -0.401388D+01 -0.215843D+02  0.279177D+02 -0.479727D+01  0.234295D+01
      4  -0.815786D+01 -0.523431D+02  0.653124D+02 -0.480240D+00 -0.430408D+01
      5  -0.117917D+02 -0.208801D+02  0.419960D+01  0.177815D+02  0.894794D+01
      6   0.114272D+02  0.759815D+01  0.256435D+01 -0.755676D+01  0.570176D+00
                26            27            28            29            30 
      1  -0.287467D+01 -0.416992D+01  0.109466D+02 -0.127312D+02 -0.245673D+02
      2   0.607813D+01 -0.836605D+01  0.347370D+01 -0.852833D+01  0.168782D+02
      3  -0.320346D+01  0.125360D+02 -0.144203D+02  0.212595D+02  0.768912D+01
      4  -0.409851D+01  0.883967D+01 -0.410712D+02  0.489726D+02  0.210315D+02
      5   0.159198D+01 -0.446145D+01 -0.451898D+02  0.181342D+02  0.203322D+02
      6   0.675766D+01 -0.155510D+01  0.219873D+02 -0.124133D+02 -0.108276D+02
                31            32            33            34            35 
      1  -0.169392D+02  0.205312D+02  0.182675D+02 -0.377580D+02  0.255110D+02
      2  -0.970907D+01  0.935670D+01 -0.236000D+02  0.251307D+02 -0.305956D+02
      3   0.266483D+02 -0.298879D+02  0.533248D+01  0.126273D+02  0.508455D+01
      4   0.580937D+02 -0.581084D+02  0.909944D+01  0.171008D+02  0.116815D+02
      5   0.103077D+02  0.973737D+01 -0.147443D+02  0.266980D+02 -0.201579D+02
      6  -0.505765D+01 -0.208373D+02  0.944578D+01 -0.156253D+02  0.153873D+02
                36            37            38            39            40 
      1   0.390130D+01  0.567444D+01 -0.619185D+01  0.210099D+01 -0.104618D+02
      2  -0.490610D+01  0.441619D+01  0.352520D-01 -0.463893D+01 -0.470418D+00
      3   0.100480D+01 -0.100906D+02  0.615660D+01  0.253794D+01  0.109322D+02
      4  -0.191797D+02 -0.319117D+02  0.119937D+02  0.494393D+01  0.570190D+01
      5  -0.121354D+02 -0.436823D+01  0.326949D+00  0.529009D+00  0.391474D+01
      6  -0.990103D+00  0.486933D+01 -0.736106D+01 -0.412829D+01 -0.838079D+01
                41            42            43            44            45 
      1   0.249952D+02  0.724036D+01  0.147629D+02  0.460031D+01  0.423114D+01
      2  -0.619629D+01 -0.332667D+01 -0.949750D+01 -0.702874D+01 -0.873678D+00
      3  -0.187989D+02 -0.391369D+01 -0.526542D+01  0.242843D+01 -0.335746D+01
      4  -0.955977D+01 -0.202054D+01  0.134215D+02 -0.573174D+01 -0.641215D+01
      5  -0.610050D+01  0.247076D+01 -0.573439D+01  0.354153D+01 -0.222718D+01
      6  -0.208267D+01 -0.198389D+02 -0.186571D+01 -0.164372D+02 -0.738539D+00
                46            47            48            49            50 
      1  -0.158492D+02 -0.549435D+01 -0.134530D+02 -0.280906D+01  0.975640D+00
      2   0.192919D+01  0.305195D+01  0.112853D+02  0.662946D+01 -0.362547D+00
      3   0.139201D+02  0.244241D+01  0.216775D+01 -0.382039D+01 -0.613093D+00
      4   0.215398D+01  0.290256D+01 -0.924407D+01  0.828005D+00  0.202190D+02
      5  -0.143360D+02 -0.182180D+01  0.792988D+01 -0.899444D+00 -0.173141D+01
      6  -0.611901D+01  0.158096D+00  0.362968D+01  0.997675D+00 -0.722860D+01
                51            52            53            54            55 
      1  -0.701026D+01 -0.181488D+02 -0.476537D+01  0.966152D+01 -0.353376D+01
      2  -0.294072D+01  0.133137D+02  0.158801D+01 -0.598536D+01 -0.823328D+01
      3   0.995098D+01  0.483507D+01  0.317736D+01 -0.367616D+01  0.117670D+02
      4  -0.152340D+01 -0.189977D+02  0.530878D+00  0.171860D+01  0.169487D+02
      5  -0.456029D+01  0.981220D+01 -0.486379D+01  0.290351D+01  0.430377D+01
      6   0.217352D+01  0.386870D+01 -0.100737D+01  0.902646D+00 -0.566909D+01
                56            57            58            59            60 
      1   0.162021D+01  0.364643D+01 -0.229778D+01 -0.140820D+02  0.120502D+01
      2   0.127469D+02 -0.530288D+01  0.101519D+02  0.785030D+01  0.542844D+00
      3  -0.143671D+02  0.165645D+01 -0.785412D+01  0.623167D+01 -0.174786D+01
      4  -0.225554D+02 -0.529339D+01 -0.212097D+02  0.101549D+02  0.580638D+01
      5  -0.363114D+01 -0.115326D+01 -0.603308D+01  0.636099D+01  0.265448D+01
      6  -0.172170D+01 -0.833813D+01  0.583362D+00  0.345849D+01 -0.897085D+00
                61            62            63            64            65 
      1   0.298785D+01  0.380334D+01  0.330548D+01  0.754211D+01  0.105891D+02
      2  -0.250134D+01 -0.926909D+01  0.547832D+01  0.566236D+01 -0.687033D+01
      3  -0.486512D+00  0.546575D+01 -0.878380D+01 -0.132045D+02 -0.371873D+01
      4  -0.215504D+01  0.733027D+01 -0.346664D+01  0.574700D+00 -0.480228D+01
      5   0.918242D+00 -0.392484D+00 -0.137397D+01 -0.514117D+01  0.749342D+01
      6  -0.589552D+01  0.278265D+01  0.112619D+02  0.124321D+02  0.153723D+02
                66            67            68            69            70 
      1  -0.402842D+01  0.159396D+02 -0.975149D+01 -0.219583D+01 -0.203852D+00
      2   0.148944D+02 -0.404111D+01  0.378963D+01 -0.672567D+01  0.116095D+02
      3  -0.108660D+02 -0.118985D+02  0.596186D+01  0.892149D+01 -0.114056D+02
      4   0.707287D+01 -0.334338D+01 -0.350941D+01  0.365375D+01 -0.378530D+00
      5  -0.169831D+02  0.170666D+01  0.920162D+01 -0.961108D+01 -0.147127D+02
      6  -0.188249D+01  0.140879D+02 -0.127826D+02 -0.243925D+00  0.197107D+01
                71            72            73            74            75 
      1  -0.555582D+01 -0.644363D+01  0.231113D+02  0.241350D+01  0.110514D+02
      2   0.659617D+00 -0.306334D+01 -0.175976D+02 -0.198109D+01 -0.116984D+02
      3   0.489620D+01  0.950697D+01 -0.551368D+01 -0.432404D+00  0.646971D+00
      4   0.591097D+01  0.318138D+01  0.824339D+01  0.913910D+01  0.548666D+01
      5  -0.274010D+01 -0.454877D+01  0.198781D+02  0.331989D+01  0.180290D+02
      6  -0.288988D+01  0.121222D+01  0.248560D+01  0.135543D+01  0.342052D+01
                76            77            78            79            80 
      1  -0.474813D+01  0.980055D+00 -0.256884D+01  0.143624D+02 -0.354239D+00
      2   0.425780D+01 -0.396525D+00  0.324089D+01 -0.151828D+02 -0.157502D+00
      3   0.490337D+00 -0.583529D+00 -0.672049D+00  0.820368D+00  0.511741D+00
      4   0.565474D+01  0.724708D+00  0.242450D+01  0.688633D+01  0.371455D+01
      5  -0.305235D+01  0.350291D+01 -0.235373D+01  0.223729D+02  0.509874D+01
      6   0.202564D+01 -0.153029D+00  0.375762D+01  0.379993D+01  0.485547D+01
                81            82            83            84            85 
      1   0.746994D+01 -0.337227D+00 -0.272181D+01 -0.372141D+00 -0.371325D+01
      2  -0.161159D+02  0.648599D+01  0.862104D+01  0.985994D+00  0.974466D+01
      3   0.864596D+01 -0.614876D+01 -0.589922D+01 -0.613852D+00 -0.603141D+01
      4   0.810420D+01  0.665927D+01  0.135227D+02  0.761246D+00  0.113883D+02
      5   0.256241D+02  0.145281D+01  0.224834D+01  0.205147D+01  0.207817D+01
      6   0.521299D+01  0.866363D+00  0.258509D+01  0.664722D+00  0.316440D+01
                86            87            88            89            90 
      1  -0.390446D+02 -0.350290D+01  0.204798D+00  0.292471D+01 -0.534176D+01
      2   0.721369D+02  0.321030D+01 -0.731285D+00 -0.799142D+01  0.432290D+01
      3  -0.330923D+02  0.292606D+00  0.526487D+00  0.506670D+01  0.101887D+01
      4   0.219443D+02  0.199846D+01 -0.153326D+01 -0.235555D+01  0.138680D+01
      5   0.293555D+01  0.179862D+01  0.985986D+00  0.187674D+01 -0.269902D+00
      6   0.141317D+02  0.919916D+01  0.329908D+00  0.790702D+01  0.133879D+01
                91            92            93            94            95 
      1  -0.814413D+00  0.961724D+00  0.342167D+01 -0.163136D+01 -0.546992D+01
      2  -0.348892D+01 -0.158328D+00  0.186223D-01  0.849529D+00  0.543401D+01
      3   0.430333D+01 -0.803396D+00 -0.344029D+01  0.781827D+00  0.359061D-01
      4  -0.196504D+01  0.309295D+01  0.292999D+01  0.600372D+00 -0.126478D+00
      5  -0.201481D+01  0.870291D+00  0.614514D+01 -0.251652D+00  0.131321D-01
      6   0.229232D+01 -0.229808D+01 -0.481201D+01 -0.824752D+00  0.338633D+01
                96            97            98            99           100 
      1  -0.137951D+01  0.427119D+01 -0.818551D+01 -0.250711D+02  0.599605D+02
      2   0.327777D+01  0.997323D+00  0.311808D+01 -0.127711D+02 -0.275019D+02
      3  -0.189825D+01 -0.526851D+01  0.506743D+01  0.378422D+02 -0.324586D+02
      4  -0.154773D+00  0.360046D+01  0.155670D+00 -0.927474D-01 -0.317413D+02
      5  -0.614971D+00  0.518940D+01  0.589664D+00  0.213308D+01  0.181555D+02
      6   0.450894D+01 -0.274114D+01  0.121685D+02  0.287735D+02 -0.105360D+02
               101           102           103           104           105 
      1  -0.105537D+02  0.153460D+02 -0.111268D+01  0.442060D+01  0.111206D+01
      2   0.140594D+01 -0.775525D+01 -0.334823D+01  0.270937D+01 -0.353372D+00
      3   0.914780D+01 -0.759072D+01  0.446091D+01 -0.712997D+01 -0.758691D+00
      4   0.176556D+02 -0.100306D+02  0.122392D+02 -0.945951D+01 -0.601590D+00
      5  -0.596676D+01  0.111647D+02  0.358998D+01 -0.149012D+01 -0.167602D+00
      6   0.409352D+01 -0.594762D+01 -0.700103D+00  0.180751D+01  0.150730D+01
               106           107           108           109           110 
      1   0.324197D+02 -0.804554D+01  0.763707D+01  0.393293D+01 -0.956026D+01
      2  -0.176460D+02  0.382429D+01 -0.637638D+01  0.185403D+01  0.644146D+01
      3  -0.147737D+02  0.422125D+01 -0.126069D+01 -0.578696D+01  0.311881D+01
      4  -0.141433D+02  0.297031D+01 -0.292760D+01 -0.500951D+01  0.429553D+01
      5   0.847611D+01  0.472449D+00  0.895306D+01  0.170601D+01 -0.282443D+01
      6  -0.349505D+01  0.110811D+01 -0.305119D+01 -0.134652D+00  0.631039D+01
               111           112           113           114           115 
      1  -0.263768D+01 -0.317866D+01 -0.245162D+02 -0.103291D+02  0.840169D+00
      2   0.260599D+01 -0.185063D+01  0.410229D+02  0.126519D+02 -0.269836D+01
      3   0.316936D-01  0.502929D+01 -0.165067D+02 -0.232281D+01  0.185819D+01
      4  -0.268350D+01  0.128611D+02 -0.305449D+02 -0.112761D+02 -0.147303D+00
      5  -0.108818D+01  0.356819D+01 -0.135899D+02 -0.840065D+01 -0.104427D+00
      6   0.358515D+01 -0.368168D+01  0.217408D+02  0.130795D+02  0.101307D+01
               116           117           118           119           120 
      1  -0.163562D+02 -0.878887D+01 -0.585662D-01 -0.127961D+01 -0.158346D+01
      2   0.215946D+02  0.697545D+01  0.152553D+00  0.513794D+00  0.206180D+00
      3  -0.523847D+01  0.181342D+01 -0.939866D-01  0.765818D+00  0.137728D+01
      4  -0.117159D+02 -0.358560D+01  0.241651D+01  0.729235D+01  0.342786D+01
      5  -0.502140D+01 -0.344083D+01  0.782455D+00  0.442048D+01  0.551896D+01
      6   0.108824D+02  0.862406D+01  0.475635D+01  0.188565D+01  0.270258D+01
               121           122           123           124           125 
      1  -0.297713D+01 -0.179632D+02 -0.127594D+02 -0.648803D+00 -0.100196D+02
      2   0.162333D+01  0.151388D+02  0.521388D+01  0.513312D+00  0.266176D+01
      3   0.135381D+01  0.282443D+01  0.754556D+01  0.135491D+00  0.735779D+01
      4   0.641372D+01  0.501058D+01  0.281586D+01  0.963914D+00  0.219782D+01
      5   0.354135D+01  0.150063D+01  0.200291D+01  0.334532D+01  0.138008D+01
      6   0.220429D+01  0.219436D+02  0.188234D+02  0.250405D+01  0.162605D+02
               126           127           128           129           130 
      1  -0.144413D+02  0.116471D+02  0.385795D+01  0.629785D+01  0.595283D+01
      2  -0.990557D+00  0.108932D+02 -0.665347D+01 -0.126469D+02 -0.126850D+02
      3   0.154319D+02 -0.225403D+02  0.279552D+01  0.634901D+01  0.673220D+01
      4   0.317119D+01  0.742024D+01  0.589727D+00  0.398919D+01 -0.114252D+01
      5   0.131908D+01  0.575008D+01 -0.480958D+01 -0.208558D+02 -0.663913D+01
      6   0.156170D+02 -0.383412D+00  0.383017D+01  0.231100D+01  0.552659D+01
               131           132           133           134           135 
      1   0.888910D+01  0.293403D+01  0.601421D+01  0.600859D+01 -0.135936D+02
      2  -0.238919D+02  0.138421D+02 -0.115533D+02  0.537381D+01  0.120314D+02
      3   0.150028D+02 -0.167761D+02  0.553911D+01 -0.113824D+02  0.156223D+01
      4  -0.176743D+02  0.168940D+01  0.548014D+01 -0.420715D+00  0.195483D+01
      5   0.416708D+01  0.103556D+02 -0.204160D+02  0.624163D+01  0.959989D+01
      6   0.208092D+02  0.148741D+01  0.105531D+01  0.544270D+01 -0.135855D+02
               136           137           138           139           140 
      1   0.323548D+01  0.169387D+02  0.244994D+02  0.231419D+02  0.126708D+01
      2   0.964670D+00 -0.124335D+02 -0.119808D+02 -0.205166D+02 -0.147112D+02
      3  -0.420015D+01 -0.450527D+01 -0.125186D+02 -0.262531D+01  0.134442D+02
      4   0.165334D+02 -0.516696D+01  0.235631D+01 -0.110966D+02 -0.356054D+02
      5   0.262987D+02 -0.969811D+00 -0.134182D+02 -0.273427D+01 -0.375667D+01
      6   0.458230D+01 -0.678634D+00 -0.153294D+01 -0.166538D+01 -0.586134D+01
               141           142           143           144           145 
      1  -0.137484D+01  0.305767D+02 -0.213764D+01 -0.181166D+02  0.153408D+02
      2  -0.184410D+01 -0.148433D+02 -0.217470D+01  0.159653D+02  0.355706D+01
      3   0.321895D+01 -0.157334D+02  0.431234D+01  0.215136D+01 -0.188978D+02
      4  -0.333677D+01  0.344545D+01 -0.352867D+01  0.122339D+02 -0.303578D+02
      5   0.148313D+02 -0.196670D+02  0.138799D+02 -0.149353D+02 -0.400663D+01
      6   0.206738D+01 -0.160210D+01  0.272029D+01 -0.104737D+01  0.202040D+01
               146           147           148           149           150 
      1  -0.469489D+01 -0.186962D+01 -0.130579D+01 -0.428389D+01 -0.534856D+00
      2  -0.115243D+02  0.116145D+00 -0.115633D+02  0.220101D+02  0.288329D+01
      3   0.162192D+02  0.175347D+01  0.128691D+02 -0.177263D+02 -0.234843D+01
      4   0.277522D+02  0.386016D+01  0.231546D+02 -0.260045D+02 -0.344396D+01
      5   0.235883D+01  0.587851D+01  0.189653D+01 -0.261163D+01 -0.256248D+01
      6  -0.176727D+01 -0.342664D+01 -0.145653D+01  0.248065D+01  0.640758D+01
               151           152           153           154           155 
      1  -0.146995D+01 -0.664884D+00 -0.122142D+01  0.132251D+01  0.112513D+01
      2   0.857487D-01  0.346157D+01  0.200862D+01 -0.118307D+02  0.167868D+00
      3   0.138420D+01 -0.279669D+01 -0.787197D+00  0.105082D+02 -0.129299D+01
      4   0.370849D+01 -0.384868D+01 -0.508584D+01 -0.524639D+01  0.391519D+01
      5   0.553745D+01 -0.416202D+01 -0.220949D+01  0.195851D+02 -0.474818D+01
      6  -0.379634D+01  0.759387D+01  0.967012D+00 -0.928514D+01  0.457174D+01
               156           157           158           159           160 
      1  -0.320710D+01 -0.248248D+01 -0.152929D+01  0.194039D+01 -0.147615D+01
      2  -0.127780D+02 -0.361041D+00 -0.679211D+00 -0.184161D+01 -0.109905D+02
      3   0.159851D+02  0.284353D+01  0.220851D+01 -0.987747D-01  0.124667D+02
      4  -0.481881D+01  0.441018D+01 -0.188514D+01  0.284400D+01 -0.369324D+01
      5   0.190858D+02 -0.838661D+00  0.330377D+01 -0.100738D+01  0.166130D+02
      6  -0.922688D+01  0.226740D+01 -0.241457D+01  0.708071D+01 -0.626624D+01
               161           162           163           164           165 
      1   0.434399D+01 -0.117232D+02 -0.308341D+01 -0.782037D+01  0.867257D+01
      2   0.621295D+00 -0.157600D+02 -0.145901D+01  0.464531D+01  0.137177D+01
      3  -0.496529D+01  0.274832D+02  0.454242D+01  0.317506D+01 -0.100443D+02
      4   0.271003D+01 -0.402801D+01  0.830556D+01  0.821295D+01 -0.677744D+01
      5  -0.308985D+01  0.197835D+02 -0.112658D+02 -0.749794D+01  0.125194D+02
      6   0.798275D+01 -0.126035D+02 -0.959212D+01 -0.136744D+02  0.126397D+02
               166           167           168           169           170 
      1  -0.493611D+01 -0.102795D+02  0.930178D+01  0.374281D+01  0.759936D+01
      2   0.276000D+01  0.970837D+01 -0.156440D+01  0.594036D+00 -0.523133D+00
      3   0.217611D+01  0.571158D+00 -0.773738D+01 -0.433684D+01 -0.707623D+01
      4   0.754367D+01  0.591863D+01 -0.473703D+01 -0.439340D+01 -0.411171D+01
      5  -0.547723D+01 -0.666606D+01  0.522263D+01  0.879802D+01  0.469644D+01
      6  -0.856232D+01 -0.140120D+02  0.147955D+02  0.608872D+01  0.120916D+02
               171           172           173           174           175 
      1  -0.107969D+02 -0.473221D+01  0.971954D+00 -0.100271D+02 -0.858734D+00
      2  -0.319121D+01 -0.448699D+01 -0.874179D+00 -0.396689D+01  0.114558D+01
      3   0.139881D+02  0.921920D+01 -0.977754D-01  0.139940D+02 -0.286849D+00
      4   0.439294D+01 -0.884553D+01  0.446208D+00 -0.215954D+01  0.142018D+01
      5  -0.758710D+01  0.132771D+02  0.167978D+01  0.790129D+01  0.177870D+01
      6  -0.142906D+02 -0.255638D-01  0.407884D+01 -0.508141D+01  0.186386D+01
               176           177           178           179           180 
      1  -0.241371D+01 -0.738024D+00 -0.537342D+01 -0.434719D+00 -0.630867D+01
      2   0.312647D+01 -0.259027D+01 -0.255742D+01 -0.130549D+01 -0.604195D+01
      3  -0.712766D+00  0.332829D+01  0.793084D+01  0.174021D+01  0.123506D+02
      4   0.119715D+01 -0.138262D-01 -0.310839D+01  0.619682D+00 -0.255974D+01
      5   0.143731D+01 -0.154458D+01  0.967288D+01  0.585065D-01  0.497810D+01
      6  -0.174639D+01  0.189880D+01 -0.190375D+01  0.250262D+01 -0.177106D+01
               181           182           183           184           185 
      1  -0.390970D+00  0.119555D+01 -0.335140D+00 -0.452393D+00 -0.203230D+02
      2   0.156438D+01  0.193640D+01  0.138531D+01  0.512281D+01  0.370393D+02
      3  -0.117341D+01 -0.313195D+01 -0.105017D+01 -0.467041D+01 -0.167164D+02
      4   0.418270D+01  0.792964D+01 -0.224755D+01  0.106232D+02  0.209341D+02
      5  -0.243746D+01 -0.307080D+01  0.486388D+01 -0.453001D+01 -0.575415D+01
      6  -0.294430D+01 -0.328537D+01  0.117235D+01 -0.592895D+01 -0.294579D+02
               186           187           188           189           190 
      1   0.803208D+01  0.242809D+00  0.171957D+01 -0.234216D+01  0.864480D+01
      2  -0.510562D+01  0.179973D+01  0.159853D+01  0.969378D+00 -0.167690D+02
      3  -0.292646D+01 -0.204254D+01 -0.331810D+01  0.137279D+01  0.812416D+01
      4  -0.514807D+01  0.117521D+00  0.751510D+00  0.194606D+01  0.242428D+01
      5   0.423033D+01  0.301517D+01  0.122969D+01 -0.161529D+01 -0.226608D+02
      6   0.138760D+02  0.107311D+01  0.611480D+01 -0.252670D+01 -0.153311D+00
               191           192           193           194           195 
      1  -0.211964D+01 -0.916804D+00 -0.323920D+01 -0.618788D+00 -0.166803D+01
      2   0.383346D+01  0.164368D+02  0.685451D+01 -0.807875D+00 -0.873220D+01
      3  -0.171382D+01 -0.155200D+02 -0.361531D+01  0.142666D+01  0.104002D+02
      4   0.389650D+01 -0.309669D+01  0.285902D+01 -0.877845D+00 -0.269656D+01
      5   0.277190D+01  0.243856D+02  0.874116D+01 -0.548667D+01 -0.993281D+01
      6  -0.538184D+01  0.171837D+01 -0.419644D+01  0.209750D+01  0.482312D+01
               196           197           198           199           200 
      1  -0.147020D+01 -0.350996D+00 -0.638418D+01  0.889054D+01 -0.415440D+01
      2   0.134542D+02 -0.360807D+01 -0.215659D+02 -0.772309D+01  0.314724D+01
      3  -0.119840D+02  0.395907D+01  0.279501D+02 -0.116745D+01  0.100717D+01
      4  -0.235055D+01 -0.279167D+01  0.167825D+01 -0.307311D+01  0.290537D+01
      5   0.199216D+02 -0.311841D+01 -0.254293D+02  0.819354D+01 -0.310287D+01
      6   0.597248D+00  0.548653D+01 -0.878591D+00 -0.702619D+00  0.497261D+00
               201           202           203           204           205 
      1   0.557602D+01 -0.982636D+01  0.712025D+00 -0.191953D+01  0.129433D+02
      2  -0.602939D+01  0.672256D+01  0.702332D-01  0.362991D+01 -0.110098D+02
      3   0.453371D+00  0.310379D+01 -0.782258D+00 -0.171038D+01 -0.193342D+01
      4  -0.162327D+01  0.410283D+01 -0.184966D+01  0.562947D+01  0.191108D+00
      5   0.136206D+02 -0.527748D+01  0.540228D+01 -0.102026D+02  0.203242D+02
      6   0.603917D+00  0.587095D+00 -0.142022D+01  0.217899D+01  0.219803D+01
               206           207           208           209           210 
      1  -0.535694D+00  0.651948D+01  0.518438D+02 -0.870107D+01 -0.175704D+02
      2   0.344883D+01 -0.168569D+02 -0.282448D+02  0.532836D+01  0.100417D+02
      3  -0.291314D+01  0.103374D+02 -0.235989D+02  0.337271D+01  0.752868D+01
      4   0.810058D+01 -0.528231D+01 -0.258826D+01  0.864853D+01  0.117588D+01
      5  -0.716247D+01  0.329273D+02 -0.188594D+02  0.298695D+01  0.156018D+02
      6   0.299966D+01  0.320405D+01 -0.187636D+01  0.184686D-02  0.187668D+01
               211           212           213           214           215 
      1  -0.189562D+02  0.666172D+01  0.466398D+01 -0.328726D+02  0.393048D+01
      2   0.111543D+02 -0.164259D+01 -0.268843D+01  0.189339D+02 -0.254748D+01
      3   0.780191D+01 -0.501913D+01 -0.197555D+01  0.139387D+02 -0.138300D+01
      4   0.101628D+02 -0.248352D+01 -0.398198D+01 -0.221370D+00 -0.673081D+01
      5   0.612322D+01 -0.386005D+01 -0.731139D+01  0.207814D+02 -0.469017D+01
      6  -0.614273D+00  0.150043D+01  0.133021D+01  0.161912D+01  0.127623D+01
               216           217           218           219           220 
      1   0.139280D+02  0.688157D+01  0.523637D+01 -0.119523D+01  0.101642D+02
      2  -0.116261D+02 -0.369036D+00 -0.467562D+00  0.969534D+00  0.380702D+01
      3  -0.230189D+01 -0.651253D+01 -0.476881D+01  0.225699D+00 -0.139712D+02
      4  -0.270977D+01  0.767609D+01  0.117427D+02  0.982506D+00  0.261233D+02
      5  -0.162638D+02 -0.673723D+00  0.162778D+01  0.320734D+01  0.400147D+01
      6  -0.125121D+01  0.688350D+00  0.880778D+00  0.364698D+00  0.326425D+01
               221           222           223           224           225 
      1  -0.471629D+01  0.218586D+00 -0.272911D+01 -0.224158D+00  0.118064D+01
      2   0.260370D+02  0.805846D+00  0.124934D+01  0.836657D+00  0.104385D+00
      3  -0.213207D+02 -0.102443D+01  0.147977D+01 -0.612499D+00 -0.128503D+01
      4   0.476963D+02  0.426252D+01  0.117066D+01  0.288439D+01  0.390672D+01
      5   0.444452D+01  0.675061D+01  0.605563D+01  0.379644D+01  0.273026D+01
      6   0.762714D+01  0.693056D+01  0.245587D+01  0.586155D+01  0.135628D+01
               226           227           228           229           230 
      1   0.152139D+02  0.108597D+02 -0.475911D+01  0.743901D+01  0.239140D+01
      2  -0.542826D+01 -0.274198D+01  0.107395D+01  0.148029D+00  0.601157D+01
      3  -0.978565D+01 -0.811769D+01  0.368515D+01 -0.758704D+01 -0.840297D+01
      4   0.183433D+02  0.216099D+02 -0.614689D+01  0.150329D+02  0.252087D+02
      5  -0.627303D+01 -0.306854D+01  0.739771D+01 -0.285981D+01 -0.650205D+01
      6  -0.473953D+01 -0.485400D+01  0.385989D+01 -0.459830D+01 -0.587441D+01
               231           232           233           234 
      1  -0.287496D+01 -0.970549D+01 -0.413432D+01  0.512662D+01
      2  -0.169513D+01  0.362286D+01 -0.209375D+01 -0.343116D+01
      3   0.457010D+01  0.608263D+01  0.622807D+01 -0.169546D+01
      4  -0.816775D+01 -0.114142D+02 -0.208398D+02  0.100495D+02
      5   0.256630D+01  0.924185D+01  0.700019D+01 -0.920476D+01
      6   0.660895D+01  0.539116D+01  0.805533D+01 -0.586686D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul  9 23:36:45 2021, MaxMem= 17179869184 cpu:           27857.4 elap:            2327.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.30218 -10.29988 -10.29429 -10.29377 -10.29218
 Alpha  occ. eigenvalues --  -10.28948 -10.28638 -10.28095 -10.27578 -10.27306
 Alpha  occ. eigenvalues --   -0.98573  -0.88867  -0.85372  -0.83516  -0.78018
 Alpha  occ. eigenvalues --   -0.75670  -0.71514  -0.68700  -0.63807  -0.58369
 Alpha  occ. eigenvalues --   -0.56648  -0.56493  -0.53244  -0.51833  -0.51358
 Alpha  occ. eigenvalues --   -0.49104  -0.47856  -0.47412  -0.46176  -0.45359
 Alpha  occ. eigenvalues --   -0.44906  -0.43210  -0.41835  -0.39757  -0.37875
 Alpha  occ. eigenvalues --   -0.37210  -0.35791  -0.31384
 Alpha virt. eigenvalues --    0.03639   0.04313   0.04498   0.04576   0.06065
 Alpha virt. eigenvalues --    0.06117   0.06157   0.06369   0.06712   0.08170
 Alpha virt. eigenvalues --    0.08317   0.08513   0.08898   0.09290   0.09512
 Alpha virt. eigenvalues --    0.10227   0.11660   0.12110   0.12879   0.13620
 Alpha virt. eigenvalues --    0.13699   0.13852   0.14470   0.14596   0.14935
 Alpha virt. eigenvalues --    0.15257   0.15662   0.16062   0.16538   0.16684
 Alpha virt. eigenvalues --    0.16939   0.17255   0.17680   0.18216   0.18478
 Alpha virt. eigenvalues --    0.18791   0.19004   0.19623   0.19751   0.20362
 Alpha virt. eigenvalues --    0.21515   0.21873   0.22538   0.23007   0.23087
 Alpha virt. eigenvalues --    0.23232   0.24024   0.24262   0.24397   0.25111
 Alpha virt. eigenvalues --    0.25600   0.25682   0.26564   0.26905   0.27486
 Alpha virt. eigenvalues --    0.28424   0.28693   0.29269   0.29470   0.29802
 Alpha virt. eigenvalues --    0.30505   0.31104   0.31750   0.32898   0.33210
 Alpha virt. eigenvalues --    0.33942   0.34195   0.34993   0.35376   0.36411
 Alpha virt. eigenvalues --    0.36678   0.37240   0.37815   0.38243   0.38579
 Alpha virt. eigenvalues --    0.39485   0.39764   0.40123   0.40963   0.41241
 Alpha virt. eigenvalues --    0.42746   0.43297   0.43447   0.44040   0.44494
 Alpha virt. eigenvalues --    0.44907   0.45651   0.46035   0.46248   0.46800
 Alpha virt. eigenvalues --    0.47161   0.47779   0.48186   0.48324   0.49009
 Alpha virt. eigenvalues --    0.49697   0.50594   0.51388   0.52333   0.52393
 Alpha virt. eigenvalues --    0.52885   0.53646   0.54417   0.54857   0.55364
 Alpha virt. eigenvalues --    0.56249   0.57408   0.57780   0.57975   0.58824
 Alpha virt. eigenvalues --    0.59416   0.59649   0.60533   0.61376   0.61584
 Alpha virt. eigenvalues --    0.62425   0.63142   0.63613   0.63762   0.64523
 Alpha virt. eigenvalues --    0.64792   0.65249   0.65942   0.66041   0.66979
 Alpha virt. eigenvalues --    0.67949   0.68240   0.68677   0.69492   0.70025
 Alpha virt. eigenvalues --    0.70857   0.71374   0.71742   0.72177   0.72908
 Alpha virt. eigenvalues --    0.73199   0.73410   0.73705   0.74978   0.75105
 Alpha virt. eigenvalues --    0.75446   0.76497   0.77145   0.77468   0.77745
 Alpha virt. eigenvalues --    0.78050   0.79772   0.79826   0.80237   0.80470
 Alpha virt. eigenvalues --    0.81328   0.81995   0.82427   0.83468   0.84524
 Alpha virt. eigenvalues --    0.84594   0.84981   0.85574   0.85702   0.86963
 Alpha virt. eigenvalues --    0.88096   0.88388   0.89150   0.89913   0.90333
 Alpha virt. eigenvalues --    0.91492   0.92825   0.93401   0.93447   0.94281
 Alpha virt. eigenvalues --    0.96639   0.97312   0.97872   0.99110   0.99436
 Alpha virt. eigenvalues --    1.00783   1.04298   1.04994   1.05142   1.05833
 Alpha virt. eigenvalues --    1.08353   1.09059   1.09549   1.10810   1.11788
 Alpha virt. eigenvalues --    1.12195   1.13997   1.14681   1.15935   1.18070
 Alpha virt. eigenvalues --    1.18281   1.19140   1.19873   1.21305   1.25463
 Alpha virt. eigenvalues --    1.26236   1.26977   1.27989   1.29619   1.31471
 Alpha virt. eigenvalues --    1.31818   1.34163   1.35434   1.37317   1.38193
 Alpha virt. eigenvalues --    1.40394   1.41773   1.43066   1.45245   1.47001
 Alpha virt. eigenvalues --    1.48161   1.50104   1.51279   1.52291   1.53536
 Alpha virt. eigenvalues --    1.55218   1.55972   1.56782   1.58515   1.59275
 Alpha virt. eigenvalues --    1.60802   1.61827   1.62797   1.64079   1.65833
 Alpha virt. eigenvalues --    1.66426   1.67594   1.69645   1.70800   1.71371
 Alpha virt. eigenvalues --    1.72236   1.73241   1.73921   1.75510   1.78084
 Alpha virt. eigenvalues --    1.78521   1.79152   1.80392   1.81310   1.81520
 Alpha virt. eigenvalues --    1.83649   1.85442   1.87486   1.88122   1.90190
 Alpha virt. eigenvalues --    1.91308   1.91884   1.92517   1.92630   1.94425
 Alpha virt. eigenvalues --    1.95676   1.96105   1.98322   1.99315   2.00106
 Alpha virt. eigenvalues --    2.00220   2.03459   2.04476   2.05006   2.07778
 Alpha virt. eigenvalues --    2.07924   2.08937   2.10224   2.12687   2.12841
 Alpha virt. eigenvalues --    2.13619   2.15292   2.16198   2.17033   2.18964
 Alpha virt. eigenvalues --    2.19520   2.20341   2.21247   2.23987   2.24519
 Alpha virt. eigenvalues --    2.25932   2.26561   2.27214   2.28337   2.28770
 Alpha virt. eigenvalues --    2.30318   2.31904   2.32712   2.33946   2.35204
 Alpha virt. eigenvalues --    2.37251   2.37821   2.39315   2.40602   2.41237
 Alpha virt. eigenvalues --    2.43555   2.43965   2.46740   2.48039   2.49914
 Alpha virt. eigenvalues --    2.51200   2.51582   2.53879   2.55600   2.56504
 Alpha virt. eigenvalues --    2.57394   2.57692   2.59768   2.62227   2.62388
 Alpha virt. eigenvalues --    2.63779   2.64593   2.66490   2.67510   2.71114
 Alpha virt. eigenvalues --    2.71699   2.74248   2.75115   2.77492   2.81196
 Alpha virt. eigenvalues --    2.82052   2.85856   2.86555   2.88805   2.90015
 Alpha virt. eigenvalues --    2.93731   2.95234   2.96003   3.03246   3.03330
 Alpha virt. eigenvalues --    3.07044   3.16281   3.20161   3.24424   3.29696
 Alpha virt. eigenvalues --    3.43416   3.48844   4.12461   4.18277   4.51742
 Alpha virt. eigenvalues --    4.81686
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    9.893126  -0.483565  -1.497912  -0.682644  -1.280966  -0.402778
     2  C   -0.483565   6.777836   0.297811  -0.132386  -0.413557   0.497261
     3  C   -1.497912   0.297811  11.372909  -2.543944  -3.762554   0.797816
     4  C   -0.682644  -0.132386  -2.543944  10.672893  -1.289798   0.245912
     5  C   -1.280966  -0.413557  -3.762554  -1.289798  18.857939  -3.529390
     6  C   -0.402778   0.497261   0.797816   0.245912  -3.529390  13.765138
     7  C    1.232264  -1.626502  -1.749315   0.157469   3.240275  -4.337323
     8  C   -1.189923   0.405498   1.188883  -0.279124  -4.001901   1.920452
     9  H   -1.016734   0.188733   0.745162  -0.316540   0.208877  -0.038880
    10  H    0.157956  -0.279270   0.099053   0.006184   0.002522   0.185121
    11  H    0.146902  -0.291872   0.041530   0.018617  -0.104057  -0.046595
    12  H    0.048999   0.022688   0.198280  -0.462025   0.148882  -0.069157
    13  H    0.049424  -0.041550   0.397932  -0.464815  -0.047562   0.008125
    14  H    0.046036   0.120335   0.913039  -0.299584  -2.917053   0.419199
    15  C   -0.150941  -0.167966  -0.382705  -0.116416   1.329229  -2.046321
    16  C    0.190138  -0.215824   0.051449   0.132759  -0.628243  -1.160472
    17  H   -0.029529   0.447161   0.116590  -0.038215  -0.466251   0.495786
    18  H   -0.085402  -0.015683   0.236966   0.031041   0.271095  -0.169932
    19  H    0.239332   0.037634   0.137617  -0.009101  -0.825426   0.416877
    20  H   -0.027396  -0.030209  -0.029801   0.092679  -0.536774   0.560787
    21  H    0.029652  -0.016660   0.195265  -0.081606  -0.104684   0.185850
    22  H   -0.040205   0.065937  -0.000644  -0.021646   0.080494   0.131496
    23  H    0.041262  -0.008865  -0.066112   0.019579   0.125132   0.831363
    24  H   -0.043839   0.062956  -0.022440   0.009843   0.009631   0.041133
    25  H    0.018544  -0.042502   0.120144  -0.015701  -0.246414  -0.104389
    26  H    0.211459   0.074147  -0.273678   0.020175  -0.088406  -0.059921
               7          8          9         10         11         12
     1  C    1.232264  -1.189923  -1.016734   0.157956   0.146902   0.048999
     2  C   -1.626502   0.405498   0.188733  -0.279270  -0.291872   0.022688
     3  C   -1.749315   1.188883   0.745162   0.099053   0.041530   0.198280
     4  C    0.157469  -0.279124  -0.316540   0.006184   0.018617  -0.462025
     5  C    3.240275  -4.001901   0.208877   0.002522  -0.104057   0.148882
     6  C   -4.337323   1.920452  -0.038880   0.185121  -0.046595  -0.069157
     7  C   14.536555  -4.216165  -0.135184   0.001674   0.155875   0.045315
     8  C   -4.216165  10.407366   0.108315  -0.035399   0.034278  -0.060364
     9  H   -0.135184   0.108315   2.486546   0.127372  -0.292041  -0.059027
    10  H    0.001674  -0.035399   0.127372   2.171713  -0.641704  -0.001971
    11  H    0.155875   0.034278  -0.292041  -0.641704   2.174819   0.007418
    12  H    0.045315  -0.060364  -0.059027  -0.001971   0.007418   2.370598
    13  H   -0.014039   0.087302   0.034589   0.003264  -0.010577  -0.597857
    14  H   -0.348757   0.848693  -0.000627  -0.004460   0.005629   0.037564
    15  C    1.238042  -0.948427   0.063065   0.010919  -0.132238   0.043279
    16  C   -0.385879   0.424223  -0.037725  -0.008716   0.060403  -0.000143
    17  H   -2.476459   0.905096   0.003272  -0.090606  -0.002596   0.000682
    18  H    0.405922  -0.958467  -0.010275   0.021051  -0.002249  -0.000295
    19  H   -0.875493   0.464653   0.037901  -0.039192   0.008821  -0.011797
    20  H   -0.277159   0.214508  -0.018029  -0.008114   0.042940  -0.003198
    21  H    0.037257  -0.001096   0.003685  -0.003833   0.005563   0.006394
    22  H   -0.114034  -0.021039   0.008663   0.011562  -0.026499   0.000420
    23  H    0.104831  -0.323406  -0.000927  -0.002263   0.003420   0.000426
    24  H   -0.137812   0.066105  -0.002500  -0.000635   0.020191   0.000946
    25  H   -0.018447   0.089274   0.000696   0.003075  -0.011773  -0.003300
    26  H    0.027313  -0.009467  -0.635544  -0.330621   0.162660   0.015541
              13         14         15         16         17         18
     1  C    0.049424   0.046036  -0.150941   0.190138  -0.029529  -0.085402
     2  C   -0.041550   0.120335  -0.167966  -0.215824   0.447161  -0.015683
     3  C    0.397932   0.913039  -0.382705   0.051449   0.116590   0.236966
     4  C   -0.464815  -0.299584  -0.116416   0.132759  -0.038215   0.031041
     5  C   -0.047562  -2.917053   1.329229  -0.628243  -0.466251   0.271095
     6  C    0.008125   0.419199  -2.046321  -1.160472   0.495786  -0.169932
     7  C   -0.014039  -0.348757   1.238042  -0.385879  -2.476459   0.405922
     8  C    0.087302   0.848693  -0.948427   0.424223   0.905096  -0.958467
     9  H    0.034589  -0.000627   0.063065  -0.037725   0.003272  -0.010275
    10  H    0.003264  -0.004460   0.010919  -0.008716  -0.090606   0.021051
    11  H   -0.010577   0.005629  -0.132238   0.060403  -0.002596  -0.002249
    12  H   -0.597857   0.037564   0.043279  -0.000143   0.000682  -0.000295
    13  H    2.330685  -0.057223  -0.012694   0.004601  -0.001225   0.004968
    14  H   -0.057223   3.393673  -0.267350   0.031196   0.004822  -0.096950
    15  C   -0.012694  -0.267350   6.677401  -0.565452  -0.244795   0.174571
    16  C    0.004601   0.031196  -0.565452   6.611922   0.084560  -0.027761
    17  H   -0.001225   0.004822  -0.244795   0.084560   3.080781  -0.099926
    18  H    0.004968  -0.096950   0.174571  -0.027761  -0.099926   2.874408
    19  H    0.012119   0.119124  -0.165019   0.040145   0.143923  -0.973604
    20  H   -0.000631  -0.007587  -0.025857   0.213456  -0.006824   0.034690
    21  H   -0.011642   0.032135   0.067545  -0.285421   0.006658  -0.002402
    22  H    0.002493  -0.000758   0.053311  -0.008061   0.002587  -0.005638
    23  H    0.000635  -0.043425  -0.114894  -0.338350  -0.052797  -0.036054
    24  H   -0.002913   0.023646   0.047392   0.151296  -0.009753   0.002323
    25  H    0.008694  -0.034121   0.131478   0.283394   0.015343   0.011511
    26  H   -0.001284   0.008965   0.014692   0.020189   0.003716   0.033729
              19         20         21         22         23         24
     1  C    0.239332  -0.027396   0.029652  -0.040205   0.041262  -0.043839
     2  C    0.037634  -0.030209  -0.016660   0.065937  -0.008865   0.062956
     3  C    0.137617  -0.029801   0.195265  -0.000644  -0.066112  -0.022440
     4  C   -0.009101   0.092679  -0.081606  -0.021646   0.019579   0.009843
     5  C   -0.825426  -0.536774  -0.104684   0.080494   0.125132   0.009631
     6  C    0.416877   0.560787   0.185850   0.131496   0.831363   0.041133
     7  C   -0.875493  -0.277159   0.037257  -0.114034   0.104831  -0.137812
     8  C    0.464653   0.214508  -0.001096  -0.021039  -0.323406   0.066105
     9  H    0.037901  -0.018029   0.003685   0.008663  -0.000927  -0.002500
    10  H   -0.039192  -0.008114  -0.003833   0.011562  -0.002263  -0.000635
    11  H    0.008821   0.042940   0.005563  -0.026499   0.003420   0.020191
    12  H   -0.011797  -0.003198   0.006394   0.000420   0.000426   0.000946
    13  H    0.012119  -0.000631  -0.011642   0.002493   0.000635  -0.002913
    14  H    0.119124  -0.007587   0.032135  -0.000758  -0.043425   0.023646
    15  C   -0.165019  -0.025857   0.067545   0.053311  -0.114894   0.047392
    16  C    0.040145   0.213456  -0.285421  -0.008061  -0.338350   0.151296
    17  H    0.143923  -0.006824   0.006658   0.002587  -0.052797  -0.009753
    18  H   -0.973604   0.034690  -0.002402  -0.005638  -0.036054   0.002323
    19  H    2.897003  -0.014103  -0.000865   0.001312  -0.005977   0.007522
    20  H   -0.014103   2.103857  -0.557710  -0.473501  -0.054278   0.023873
    21  H   -0.000865  -0.557710   1.953104  -0.252958   0.023222   0.006460
    22  H    0.001312  -0.473501  -0.252958   1.705812   0.025124  -0.048587
    23  H   -0.005977  -0.054278   0.023222   0.025124   1.917375  -0.367881
    24  H    0.007522   0.023873   0.006460  -0.048587  -0.367881   1.779582
    25  H    0.005496   0.052268  -0.069048   0.005437  -0.396255  -0.447904
    26  H   -0.062472   0.019833   0.002150  -0.004416   0.003640  -0.001723
              25         26
     1  C    0.018544   0.211459
     2  C   -0.042502   0.074147
     3  C    0.120144  -0.273678
     4  C   -0.015701   0.020175
     5  C   -0.246414  -0.088406
     6  C   -0.104389  -0.059921
     7  C   -0.018447   0.027313
     8  C    0.089274  -0.009467
     9  H    0.000696  -0.635544
    10  H    0.003075  -0.330621
    11  H   -0.011773   0.162660
    12  H   -0.003300   0.015541
    13  H    0.008694  -0.001284
    14  H   -0.034121   0.008965
    15  C    0.131478   0.014692
    16  C    0.283394   0.020189
    17  H    0.015343   0.003716
    18  H    0.011511   0.033729
    19  H    0.005496  -0.062472
    20  H    0.052268   0.019833
    21  H   -0.069048   0.002150
    22  H    0.005437  -0.004416
    23  H   -0.396255   0.003640
    24  H   -0.447904  -0.001723
    25  H    1.814534  -0.000595
    26  H   -0.000595   2.136298
 Mulliken charges:
               1
     1  C    0.626740
     2  C    0.768415
     3  C   -0.581341
     4  C    1.346393
     5  C    1.968958
     6  C   -2.537162
     7  C    1.529775
     8  C    0.880133
     9  H   -0.452842
    10  H   -0.354682
    11  H   -0.326865
    12  H   -0.678297
    13  H   -0.680819
    14  H   -0.926160
    15  C    1.490149
    16  C    1.362317
    17  H   -0.792000
    18  H   -0.617639
    19  H   -0.586428
    20  H   -0.287721
    21  H   -0.167012
    22  H   -0.076662
    23  H   -0.284523
    24  H   -0.166912
    25  H   -0.169437
    26  H   -0.286379
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.112482
     2  C    0.086869
     3  C   -0.581341
     4  C   -0.012722
     5  C    1.042798
     6  C   -2.537162
     7  C    0.737775
     8  C   -0.323933
    15  C    0.958754
    16  C    0.741445
 Electronic spatial extent (au):  <R**2>=           1337.2998
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.4412    Y=              0.5788    Z=              0.1312  Tot=              0.7395
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -63.9999   YY=            -63.3522   ZZ=            -64.3394
   XY=              1.0371   XZ=              1.2652   YZ=              0.5169
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.1028   YY=              0.5450   ZZ=             -0.4422
   XY=              1.0371   XZ=              1.2652   YZ=              0.5169
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.0619  YYY=             -0.2528  ZZZ=              0.9704  XYY=              0.1450
  XXY=              3.0403  XXZ=              4.5865  XZZ=             -3.0358  YZZ=              2.1415
  YYZ=             -2.9931  XYZ=             -1.0443
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -924.6400 YYYY=           -540.4370 ZZZZ=           -418.1400 XXXY=             -3.8223
 XXXZ=             12.6312 YYYX=              5.1558 YYYZ=              6.4103 ZZZX=              8.0085
 ZZZY=              2.0555 XXYY=           -243.9693 XXZZ=           -222.6466 YYZZ=           -164.6022
 XXYZ=             -4.2462 YYXZ=             -4.2178 ZZXY=              2.1725
 N-N= 5.709841444774D+02 E-N=-2.045911347315D+03  KE= 3.880811614435D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul  9 23:36:45 2021, MaxMem= 17179869184 cpu:               4.1 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.68839324D-01 2.26576814D-01 4.73897661D-02
 Polarizability= 1.22600674D+02-6.80291573D+00 1.14486480D+02
                 7.23190235D-01 1.13236103D+00 9.98872265D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0245   -0.0227       -4.1082   -4.1035
 2      0.0245    0.0227       -0.5337   -0.5312       -4.1062   -4.1028
 3      4.1082    4.1035       11.9044   11.8913        0.5380    0.5312
 4      0.5337    0.5312       -0.0000    0.0000        4.1015    4.1035
 5     -7.7981   -7.7885       -4.1015   -4.1035       -0.0193   -0.0227
 6     -0.5380   -0.5312        0.0193    0.0227       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0682    0.0682      -12.3104  -12.3104
 2      1.5936    1.5936        0.0000    0.0000      -12.3104  -12.3104
 3      1.5936    1.5936        0.0682    0.0682       -0.0000    0.0000
 4      0.0682    0.0682       -1.5936   -1.5936      -12.3084  -12.3084
 5     12.3104   12.3104       35.6739   35.6739        1.5936    1.5936
 6    -23.3655  -23.3655      -12.3104  -12.3104       -0.0682   -0.0682
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1717    0.0000       -0.8377    0.0910       15.6612   16.4139
 2      0.0746   -0.0910        1.4124    2.1248       15.4450   16.4113
 3    -16.8086  -16.4139      -46.8106  -47.5652       -1.8730   -2.1248
 4     -1.9564   -2.1248       -0.1903    0.0000      -17.1129  -16.4139
 5     30.7003   31.1539       16.9390   16.4139        0.0497    0.0910
 6      2.2814    2.1248       -0.2812   -0.0910        0.0464    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1585    0.0000       14.8991   14.0663       -2.8372   -2.8380
 2    -13.2647  -14.0663      -19.3289  -17.3470        1.3146    3.5198
 3      4.3854    2.8380      -21.9053  -20.1146       16.4703   17.3470
 4     18.3808   17.3470       -2.0019    0.0000        2.3641    2.8380
 5     16.1358   16.5948       -2.3342   -2.8380       13.9228   14.0663
 6    -18.1489  -17.3470      -12.9171  -14.0663        0.4944    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     51.0608   51.5835       75.8514   74.9928        8.3673    8.0984
 2     80.7534   80.6367       71.8723   71.9905        8.1887    8.0984
 3     81.0003   80.6367       74.2142   74.9928        9.9378    9.8168
 4      3.3978    3.0023      -30.6436  -29.0533        3.2679    5.6179
 5      3.2905    1.7184      -32.5000  -31.2500       27.9947   29.0533
 6     25.3162   25.6321       -1.4916   -1.7184       -3.9576   -3.0023
 Full mass-weighted force constant matrix:
 Low frequencies ---   -9.2943   -3.9471   -0.0006   -0.0005   -0.0004    4.7830
 Low frequencies ---  106.9149  166.5864  191.0365
 Diagonal vibrational polarizability:
        1.9906344       1.4717352       2.5217771
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --    106.9137               166.5857               191.0343
 Red. masses --      2.6288                 1.8473                 1.3437
 Frc consts  --      0.0177                 0.0302                 0.0289
 IR Inten    --      0.0287                 0.1411                 0.0704
 RamAct Fr= 1--      3.4808                 1.1579                 0.6430
  Dep-P Fr= 1--      0.7235                 0.6331                 0.7237
  Dep-U Fr= 1--      0.8395                 0.7753                 0.8397
 Alpha2 Fr= 1--      0.0016                 0.0025                 0.0003
 Beta2  Fr= 1--      0.4870                 0.1496                 0.0900
 AlphaG Fr= 1--      0.0005                -0.0066                 0.0013
 Gamma2 Fr= 1--      0.8083                -0.2527                -0.1427
 Delta2 Fr= 1--     -0.2658                -0.0679                 0.0085
 Raman1 Fr= 1--      13.923                  4.632                  2.572
 ROA1   Fr= 1--      69.093                -26.430                -13.426
 CID1   Fr= 1--       4.963                 -5.706                 -5.220
 Raman2 Fr= 1--       5.845                  1.796                  1.080
 ROA2   Fr= 1--      21.526                 -5.521                 -3.493
 CID2   Fr= 1--       3.683                 -3.075                 -3.235
 Raman3 Fr= 1--      11.689                  3.591                  2.160
 ROA3   Fr= 1--      69.093                -26.430                -13.426
 CID3   Fr= 1--       5.911                 -7.360                 -6.216
 RC180  Fr= 1--       0.679                  0.551                  0.679
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.08  -0.17    -0.03  -0.06   0.12     0.01   0.02  -0.03
     2   6     0.03  -0.02   0.02    -0.02   0.06  -0.05     0.01   0.01  -0.01
     3   6    -0.01   0.03  -0.01    -0.03  -0.01  -0.00     0.01   0.00   0.02
     4   6    -0.12  -0.07   0.24    -0.10  -0.06   0.02     0.05   0.04  -0.01
     5   6     0.01   0.05  -0.05    -0.00   0.05  -0.05    -0.01  -0.03   0.03
     6   6     0.02  -0.02  -0.02     0.03   0.02  -0.01    -0.02  -0.01   0.01
     7   6     0.00  -0.00   0.05    -0.02   0.03  -0.03     0.01  -0.01   0.00
     8   6    -0.04   0.07   0.02    -0.01   0.05  -0.02     0.01  -0.04   0.00
     9   1     0.22   0.19  -0.29    -0.21  -0.17   0.23     0.04   0.06  -0.05
    10   1    -0.02   0.01   0.11     0.04   0.03  -0.20    -0.00   0.01  -0.01
    11   1     0.12  -0.14   0.02    -0.06   0.23  -0.04     0.02   0.01  -0.01
    12   1    -0.17  -0.09   0.33    -0.14  -0.15   0.10     0.07   0.09  -0.05
    13   1    -0.18  -0.12   0.36    -0.12  -0.02  -0.05     0.08   0.02   0.01
    14   1     0.01   0.07  -0.08    -0.01   0.06  -0.06     0.00  -0.05   0.05
    15   6     0.06  -0.10  -0.06     0.14   0.00  -0.04    -0.03  -0.08  -0.02
    16   6     0.02  -0.01  -0.01     0.03  -0.06   0.04    -0.04   0.09   0.01
    17   1    -0.00  -0.02   0.11    -0.03   0.01  -0.02     0.02  -0.00  -0.02
    18   1    -0.07   0.07   0.05    -0.00   0.05  -0.03     0.01  -0.04   0.01
    19   1    -0.08   0.11   0.00    -0.01   0.07  -0.00     0.01  -0.06  -0.01
    20   1     0.04  -0.07  -0.04     0.05   0.30   0.05    -0.15   0.19   0.15
    21   1     0.13  -0.11  -0.15     0.50  -0.04  -0.12     0.33  -0.13  -0.19
    22   1     0.02  -0.20  -0.04    -0.05  -0.29  -0.06    -0.27  -0.41  -0.08
    23   1    -0.01   0.04   0.02     0.02  -0.16   0.00     0.10  -0.15  -0.12
    24   1     0.03  -0.06   0.03     0.03  -0.00   0.01    -0.02   0.44  -0.14
    25   1     0.03  -0.01  -0.07     0.06  -0.07   0.15    -0.24   0.10   0.32
    26   1    -0.17   0.09  -0.32     0.16  -0.09   0.25    -0.03   0.01  -0.06
                      4                      5                      6
                      A                      A                      A
 Frequencies --    210.9931               231.2244               297.7815
 Red. masses --      1.8294                 1.2403                 1.8681
 Frc consts  --      0.0480                 0.0391                 0.0976
 IR Inten    --      0.0066                 0.0742                 0.0695
 RamAct Fr= 1--      0.3120                 0.2635                 0.4673
  Dep-P Fr= 1--      0.6126                 0.5585                 0.5456
  Dep-U Fr= 1--      0.7598                 0.7167                 0.7060
 Alpha2 Fr= 1--      0.0008                 0.0010                 0.0018
 Beta2  Fr= 1--      0.0395                 0.0315                 0.0550
 AlphaG Fr= 1--      0.0010                 0.0097                -0.0088
 Gamma2 Fr= 1--     -0.3115                 0.0791                -0.0031
 Delta2 Fr= 1--     -0.2432                -0.1075                 0.1670
 Raman1 Fr= 1--       1.248                  1.054                  1.869
 ROA1   Fr= 1--     -37.682                  4.155                  5.046
 CID1   Fr= 1--     -30.198                  3.941                  2.699
 Raman2 Fr= 1--       0.474                  0.378                  0.660
 ROA2   Fr= 1--      -5.529                  2.758                 -1.411
 CID2   Fr= 1--     -11.664                  7.302                 -2.138
 Raman3 Fr= 1--       0.948                  0.755                  1.320
 ROA3   Fr= 1--     -37.682                  4.155                  5.046
 CID3   Fr= 1--     -39.746                  5.499                  3.823
 RC180  Fr= 1--       0.520                  0.433                  0.412
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.00   0.05    -0.03  -0.00   0.03    -0.05  -0.01  -0.02
     2   6    -0.04   0.03  -0.03    -0.04  -0.03   0.03    -0.07  -0.12   0.13
     3   6    -0.01   0.00   0.02    -0.00   0.01  -0.02    -0.01  -0.03   0.00
     4   6     0.04   0.04   0.05    -0.00   0.00   0.03     0.02  -0.00  -0.01
     5   6    -0.00  -0.04  -0.02     0.01   0.00  -0.05    -0.00  -0.01  -0.02
     6   6     0.00  -0.01  -0.02     0.02  -0.02  -0.03    -0.01   0.04  -0.04
     7   6     0.01  -0.01  -0.05    -0.01  -0.02  -0.02     0.01   0.02  -0.06
     8   6     0.02  -0.05  -0.04     0.01   0.01  -0.02     0.07  -0.01  -0.04
     9   1    -0.10  -0.02   0.09    -0.04  -0.02   0.03     0.10   0.06  -0.13
    10   1    -0.03   0.02  -0.05    -0.04  -0.02   0.10    -0.05  -0.08   0.44
    11   1    -0.08   0.06  -0.03    -0.08  -0.09   0.02    -0.15  -0.40   0.08
    12   1     0.02   0.09   0.08    -0.03   0.01   0.09     0.02   0.03  -0.00
    13   1     0.10   0.02   0.05     0.02   0.00   0.02     0.06  -0.01  -0.02
    14   1     0.03  -0.06   0.00     0.03   0.02  -0.07    -0.02  -0.02  -0.02
    15   6     0.08  -0.10  -0.07     0.07   0.01  -0.02     0.06   0.13  -0.01
    16   6    -0.07   0.14   0.09    -0.02   0.02   0.04    -0.03  -0.01   0.05
    17   1    -0.01  -0.03  -0.09    -0.03  -0.04  -0.02     0.02   0.05  -0.12
    18   1     0.02  -0.06  -0.05     0.00   0.03  -0.02     0.08   0.01  -0.06
    19   1     0.03  -0.07  -0.05     0.00   0.03  -0.01     0.10  -0.05  -0.04
    20   1     0.14  -0.23  -0.16     0.18  -0.24  -0.20    -0.02   0.40   0.06
    21   1    -0.03  -0.08  -0.13    -0.24   0.05   0.08     0.37   0.09   0.00
    22   1     0.19  -0.09   0.04     0.29   0.26   0.06    -0.10  -0.05  -0.07
    23   1    -0.25   0.50   0.28     0.10  -0.31  -0.12    -0.13   0.06   0.10
    24   1     0.07  -0.10   0.37     0.02   0.43  -0.13     0.01  -0.11   0.15
    25   1    -0.11   0.16  -0.28    -0.21   0.02   0.45     0.03  -0.01  -0.02
    26   1     0.03  -0.01   0.09    -0.03   0.03   0.05    -0.23   0.06  -0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    359.1272               385.1849               394.2225
 Red. masses --      2.2799                 2.4473                 2.3202
 Frc consts  --      0.1732                 0.2139                 0.2125
 IR Inten    --      1.0175                 0.1708                 0.8245
 RamAct Fr= 1--      2.8525                 1.6580                 0.8105
  Dep-P Fr= 1--      0.4724                 0.5168                 0.6767
  Dep-U Fr= 1--      0.6417                 0.6814                 0.8072
 Alpha2 Fr= 1--      0.0159                 0.0076                 0.0011
 Beta2  Fr= 1--      0.3051                 0.1883                 0.1090
 AlphaG Fr= 1--      0.0147                 0.0036                 0.0048
 Gamma2 Fr= 1--      1.2603                -0.1635                -0.5328
 Delta2 Fr= 1--      0.4259                 0.0220                -0.2486
 Raman1 Fr= 1--      11.410                  6.632                  3.242
 ROA1   Fr= 1--     134.614                -14.998                -59.108
 CID1   Fr= 1--      11.798                 -2.261                -18.232
 Raman2 Fr= 1--       3.661                  2.260                  1.308
 ROA2   Fr= 1--      26.840                 -4.101                -10.799
 CID2   Fr= 1--       7.331                 -1.815                 -8.254
 Raman3 Fr= 1--       7.322                  4.519                  2.617
 ROA3   Fr= 1--     134.614                -14.998                -59.108
 CID3   Fr= 1--      18.386                 -3.319                -22.588
 RC180  Fr= 1--       0.283                  0.363                  0.614
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.09   0.00     0.08   0.04   0.04     0.03   0.09   0.04
     2   6     0.04  -0.06  -0.03     0.06   0.01   0.01    -0.07  -0.02   0.01
     3   6     0.04  -0.03  -0.10     0.03   0.06   0.02     0.10   0.09  -0.03
     4   6     0.13   0.04   0.10    -0.03   0.01  -0.01    -0.11  -0.07  -0.05
     5   6     0.02   0.03  -0.13     0.03   0.05  -0.01     0.11   0.01  -0.04
     6   6     0.01  -0.04  -0.05    -0.03   0.04  -0.04     0.09  -0.09  -0.01
     7   6    -0.01  -0.05   0.04     0.06   0.06  -0.07    -0.01  -0.10  -0.01
     8   6    -0.09   0.08   0.01     0.05   0.01  -0.06    -0.04  -0.04  -0.04
     9   1    -0.08  -0.21   0.06     0.05   0.01   0.06    -0.01   0.08   0.08
    10   1     0.04  -0.08  -0.13     0.06   0.02   0.11    -0.16   0.01   0.05
    11   1     0.09   0.04  -0.02    -0.01  -0.09  -0.01    -0.10  -0.07  -0.00
    12   1     0.03   0.23   0.29    -0.02  -0.08  -0.05    -0.10  -0.37  -0.05
    13   1     0.37  -0.05   0.13    -0.13   0.04  -0.02    -0.37   0.04  -0.11
    14   1     0.01   0.09  -0.20     0.09   0.03   0.00     0.21  -0.01  -0.04
    15   6    -0.08   0.07   0.01    -0.15  -0.06  -0.07    -0.06   0.02   0.07
    16   6    -0.05   0.01   0.05    -0.07  -0.14   0.17     0.04   0.09   0.03
    17   1    -0.01  -0.07   0.16     0.11   0.12  -0.11    -0.08  -0.19   0.03
    18   1    -0.14   0.06   0.07     0.01  -0.03  -0.02    -0.06  -0.12  -0.00
    19   1    -0.17   0.18  -0.01     0.04  -0.02  -0.13    -0.11   0.03  -0.06
    20   1    -0.16   0.23   0.15    -0.17  -0.21   0.05    -0.14   0.13   0.24
    21   1     0.02   0.06   0.14    -0.27  -0.04  -0.21    -0.00   0.01   0.18
    22   1    -0.23   0.10  -0.15    -0.18  -0.07  -0.10    -0.22   0.08  -0.12
    23   1    -0.16   0.06   0.10    -0.32  -0.30   0.16     0.02   0.22   0.09
    24   1     0.05   0.01   0.16     0.02  -0.17   0.28     0.17   0.16   0.13
    25   1    -0.10   0.01   0.03     0.08  -0.16   0.35    -0.15   0.11  -0.06
    26   1     0.15  -0.07   0.12     0.12   0.05   0.07     0.04   0.17   0.11
                     10                     11                     12
                      A                      A                      A
 Frequencies --    420.0343               456.1624               480.2945
 Red. masses --      2.1714                 2.9831                 3.2389
 Frc consts  --      0.2257                 0.3657                 0.4402
 IR Inten    --      0.7982                 0.6548                 0.2993
 RamAct Fr= 1--      1.3653                 1.2706                 6.8349
  Dep-P Fr= 1--      0.3890                 0.5179                 0.3876
  Dep-U Fr= 1--      0.5602                 0.6824                 0.5587
 Alpha2 Fr= 1--      0.0105                 0.0058                 0.0529
 Beta2  Fr= 1--      0.1275                 0.1445                 0.6365
 AlphaG Fr= 1--     -0.0259                -0.0084                -0.0289
 Gamma2 Fr= 1--     -0.5142                -0.6150                 0.8168
 Delta2 Fr= 1--     -0.0318                -0.3125                 0.5103
 Raman1 Fr= 1--       5.461                  5.083                 27.340
 ROA1   Fr= 1--     -50.385                -69.039                 94.746
 CID1   Fr= 1--      -9.226                -13.584                  3.466
 Raman2 Fr= 1--       1.530                  1.734                  7.637
 ROA2   Fr= 1--     -12.088                -12.260                 15.521
 CID2   Fr= 1--      -7.902                 -7.070                  2.032
 Raman3 Fr= 1--       3.059                  3.468                 15.275
 ROA3   Fr= 1--     -50.385                -69.039                 94.746
 CID3   Fr= 1--     -16.470                -19.907                  6.203
 RC180  Fr= 1--       0.120                  0.365                  0.117
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.02  -0.07    -0.15  -0.04  -0.05     0.04   0.04   0.01
     2   6    -0.06   0.05  -0.06    -0.06   0.04   0.01     0.10   0.02   0.05
     3   6     0.01  -0.06   0.04    -0.08  -0.04  -0.11    -0.12   0.14  -0.11
     4   6     0.02  -0.06  -0.03    -0.01   0.03   0.01    -0.14   0.16   0.02
     5   6     0.04   0.01  -0.02    -0.04  -0.02  -0.07    -0.11  -0.08  -0.07
     6   6    -0.02  -0.06  -0.03     0.14   0.04   0.08    -0.03  -0.11  -0.01
     7   6    -0.07  -0.05   0.03     0.03   0.05  -0.04     0.12  -0.10   0.04
     8   6     0.18   0.10   0.09     0.07   0.02  -0.05     0.13  -0.06  -0.00
     9   1     0.03   0.17  -0.10    -0.14  -0.10  -0.07    -0.07  -0.25   0.04
    10   1    -0.10   0.03  -0.29     0.03   0.04   0.09    -0.01   0.03  -0.02
    11   1     0.06   0.24  -0.02    -0.11  -0.03  -0.01     0.14   0.06   0.06
    12   1     0.05  -0.09  -0.09    -0.09   0.15   0.17    -0.14   0.27   0.02
    13   1    -0.02  -0.03  -0.07     0.18  -0.02  -0.01    -0.12   0.08   0.16
    14   1     0.05   0.10  -0.14    -0.18  -0.02  -0.03    -0.02  -0.10  -0.06
    15   6    -0.02   0.00   0.00    -0.09  -0.09   0.10     0.02   0.01   0.05
    16   6    -0.07  -0.03   0.06     0.21   0.03   0.08    -0.06  -0.04  -0.03
    17   1    -0.11  -0.10  -0.00    -0.04  -0.02  -0.10     0.12  -0.09  -0.02
    18   1     0.37   0.23  -0.14     0.12   0.16  -0.11     0.18   0.26  -0.07
    19   1     0.32   0.14   0.40     0.17  -0.06   0.05     0.33  -0.24   0.14
    20   1    -0.03   0.06   0.00    -0.16  -0.27   0.35     0.01   0.17   0.01
    21   1    -0.01  -0.00   0.10    -0.24  -0.06  -0.07     0.11  -0.01   0.25
    22   1    -0.03   0.07  -0.04    -0.22  -0.09  -0.03     0.00   0.09  -0.01
    23   1    -0.12   0.01   0.09     0.24   0.02   0.07     0.01   0.01  -0.03
    24   1     0.02   0.01   0.14     0.18   0.01   0.05    -0.08  -0.04  -0.05
    25   1    -0.14  -0.02   0.07     0.25   0.03   0.08    -0.10  -0.03  -0.09
    26   1    -0.12  -0.03  -0.17    -0.14  -0.03  -0.03     0.21   0.09   0.18
                     13                     14                     15
                      A                      A                      A
 Frequencies --    534.0723               616.0103               649.6223
 Red. masses --      2.3221                 3.4550                 2.7700
 Frc consts  --      0.3902                 0.7725                 0.6887
 IR Inten    --      3.2799                 2.6774                 0.7256
 RamAct Fr= 1--      1.4692                 1.6960                24.8489
  Dep-P Fr= 1--      0.3836                 0.7200                 0.0076
  Dep-U Fr= 1--      0.5545                 0.8372                 0.0151
 Alpha2 Fr= 1--      0.0115                 0.0009                 0.5425
 Beta2  Fr= 1--      0.1358                 0.2366                 0.0626
 AlphaG Fr= 1--     -0.0358                -0.0132                 0.3158
 Gamma2 Fr= 1--      0.8202                -1.4645                -0.2669
 Delta2 Fr= 1--      0.5461                -0.7946                -0.1312
 Raman1 Fr= 1--       5.877                  6.784                 99.396
 ROA1   Fr= 1--      96.215               -166.024                -29.825
 CID1   Fr= 1--      16.372                -24.473                 -0.300
 Raman2 Fr= 1--       1.629                  2.840                  0.752
 ROA2   Fr= 1--      15.315                -28.792                 -5.357
 CID2   Fr= 1--       9.400                -10.139                 -7.126
 Raman3 Fr= 1--       3.259                  5.679                  1.503
 ROA3   Fr= 1--      96.215               -166.024                -29.825
 CID3   Fr= 1--      29.526                -29.232                -19.839
 RC180  Fr= 1--       0.109                  0.674                 -0.970
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.01   0.03     0.06  -0.06   0.02    -0.05   0.03   0.03
     2   6     0.06   0.10   0.07     0.05  -0.15  -0.13     0.01   0.14   0.09
     3   6    -0.12  -0.05   0.16    -0.10   0.02   0.21     0.08  -0.03  -0.09
     4   6    -0.02   0.03  -0.03    -0.04   0.11  -0.01     0.06  -0.08  -0.01
     5   6     0.01  -0.04  -0.07     0.01   0.13  -0.02     0.04   0.02  -0.11
     6   6     0.07  -0.06  -0.09    -0.02  -0.06   0.05    -0.06  -0.03   0.06
     7   6     0.10  -0.03   0.06    -0.01  -0.04  -0.12     0.08   0.09  -0.03
     8   6    -0.04  -0.03   0.00    -0.01   0.11  -0.13     0.02  -0.01  -0.04
     9   1     0.22   0.18  -0.16     0.17   0.13  -0.02     0.09   0.08  -0.07
    10   1     0.08   0.07  -0.10     0.05  -0.13   0.00     0.09   0.12   0.08
    11   1     0.07   0.26   0.10    -0.04  -0.25  -0.16    -0.07   0.15   0.08
    12   1    -0.06  -0.01   0.04    -0.09   0.08   0.08    -0.11  -0.25   0.33
    13   1     0.11   0.15  -0.32     0.11   0.25  -0.33     0.17   0.01  -0.25
    14   1     0.10  -0.03  -0.11     0.16   0.13  -0.05     0.03   0.06  -0.18
    15   6    -0.01   0.04  -0.08     0.03  -0.08   0.17     0.02  -0.08   0.17
    16   6     0.04  -0.00   0.01    -0.02   0.00  -0.01    -0.16  -0.04  -0.06
    17   1     0.04  -0.10   0.07     0.07   0.03   0.02     0.08   0.13  -0.20
    18   1    -0.21  -0.06   0.21     0.07   0.06  -0.22    -0.10  -0.01   0.10
    19   1    -0.16  -0.02  -0.21    -0.00   0.19  -0.00    -0.05  -0.04  -0.22
    20   1    -0.06   0.09   0.00     0.03  -0.07   0.19     0.05  -0.03   0.08
    21   1    -0.04   0.03   0.07     0.04  -0.08   0.20     0.06  -0.09   0.20
    22   1    -0.08   0.17  -0.22     0.03  -0.07   0.17     0.07  -0.10   0.24
    23   1    -0.07  -0.03   0.02     0.12   0.09  -0.01    -0.05  -0.01  -0.07
    24   1     0.12   0.01   0.09    -0.05   0.04  -0.07    -0.24  -0.06  -0.14
    25   1     0.02  -0.00   0.05    -0.12   0.02  -0.10    -0.16  -0.04  -0.12
    26   1    -0.32  -0.15  -0.28    -0.04  -0.23  -0.20    -0.17   0.06  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    734.4905               777.6637               799.5220
 Red. masses --      1.4072                 2.2336                 1.5741
 Frc consts  --      0.4473                 0.7959                 0.5928
 IR Inten    --      0.4474                 2.1128                 0.3752
 RamAct Fr= 1--      4.1504                 6.7040                 1.6070
  Dep-P Fr= 1--      0.2265                 0.0664                 0.7113
  Dep-U Fr= 1--      0.3694                 0.1245                 0.8313
 Alpha2 Fr= 1--      0.0525                 0.1273                 0.0011
 Beta2  Fr= 1--      0.2555                 0.1391                 0.2227
 AlphaG Fr= 1--     -0.4756                 0.5449                -0.0578
 Gamma2 Fr= 1--     -0.4388                 0.8346                -0.1359
 Delta2 Fr= 1--      0.4581                 0.9172                 1.5502
 Raman1 Fr= 1--      16.602                 26.816                  6.428
 ROA1   Fr= 1--     -27.470                109.475                 36.559
 CID1   Fr= 1--      -1.655                  4.082                  5.688
 Raman2 Fr= 1--       3.066                  1.669                  2.672
 ROA2   Fr= 1--     -14.197                 12.694                -15.663
 CID2   Fr= 1--      -4.631                  7.604                 -5.862
 Raman3 Fr= 1--       6.132                  3.339                  5.344
 ROA3   Fr= 1--     -27.470                109.475                 36.559
 CID3   Fr= 1--      -4.480                 32.790                  6.842
 RC180  Fr= 1--      -0.261                 -0.751                  0.663
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03  -0.01    -0.13  -0.11  -0.06     0.01   0.02  -0.08
     2   6     0.00  -0.06  -0.02    -0.01  -0.06  -0.03     0.03   0.07  -0.05
     3   6     0.03   0.06  -0.05    -0.02   0.06  -0.03    -0.04  -0.03   0.03
     4   6    -0.02   0.04   0.00    -0.06   0.08  -0.00    -0.01  -0.00   0.00
     5   6     0.03   0.01   0.02     0.16   0.07   0.02     0.02  -0.02   0.02
     6   6    -0.03   0.06   0.03    -0.00   0.01   0.00     0.03  -0.07  -0.03
     7   6    -0.03  -0.04   0.03     0.03   0.05  -0.00    -0.05   0.10  -0.02
     8   6     0.02  -0.07   0.04     0.09  -0.06   0.11    -0.01  -0.03   0.11
     9   1     0.08  -0.00  -0.07    -0.13  -0.17  -0.07    -0.28  -0.11   0.13
    10   1    -0.01  -0.08  -0.15     0.14  -0.11  -0.15     0.03   0.15   0.45
    11   1     0.06   0.07   0.00     0.03   0.08  -0.01     0.07  -0.42  -0.09
    12   1    -0.31  -0.22   0.56     0.04   0.18  -0.22    -0.10  -0.04   0.16
    13   1     0.18   0.25  -0.49    -0.24  -0.01   0.27     0.15   0.11  -0.27
    14   1     0.02  -0.04   0.09     0.25   0.17  -0.13     0.03   0.02  -0.04
    15   6    -0.02   0.04  -0.04     0.00  -0.01   0.03     0.01  -0.01  -0.02
    16   6     0.01   0.01   0.01    -0.03  -0.00  -0.02    -0.00  -0.02  -0.01
    17   1     0.01   0.01   0.03     0.08   0.13  -0.14    -0.09   0.06  -0.09
    18   1     0.08  -0.06  -0.03    -0.07  -0.43   0.32     0.04  -0.11   0.05
    19   1     0.06  -0.08   0.11    -0.18   0.08  -0.21    -0.02  -0.01   0.11
    20   1     0.01  -0.02  -0.10     0.01  -0.02   0.02    -0.02   0.05   0.03
    21   1    -0.00   0.04  -0.17     0.01  -0.01   0.01     0.01  -0.02   0.13
    22   1     0.03  -0.06   0.05     0.02  -0.03   0.05    -0.03   0.10  -0.11
    23   1    -0.00  -0.02  -0.00    -0.08  -0.00  -0.00    -0.03   0.04   0.02
    24   1    -0.03  -0.03  -0.00     0.01   0.02   0.01     0.10   0.07   0.05
    25   1     0.09   0.00   0.03    -0.07  -0.00   0.00    -0.15  -0.00  -0.02
    26   1    -0.07  -0.01  -0.05    -0.13  -0.06  -0.02     0.35  -0.13   0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    833.8524               864.3223               892.7482
 Red. masses --      2.2210                 2.3719                 2.1851
 Frc consts  --      0.9099                 1.0440                 1.0261
 IR Inten    --      0.3716                 5.0505                 0.7622
 RamAct Fr= 1--      2.9574                11.0923                 3.6341
  Dep-P Fr= 1--      0.2629                 0.4834                 0.2558
  Dep-U Fr= 1--      0.4163                 0.6518                 0.4074
 Alpha2 Fr= 1--      0.0338                 0.0591                 0.0424
 Beta2  Fr= 1--      0.2052                 1.2049                 0.2467
 AlphaG Fr= 1--     -0.0066                -0.3903                 0.0166
 Gamma2 Fr= 1--     -0.1298                -2.8979                 1.6609
 Delta2 Fr= 1--     -0.1227                -1.3121                 0.4173
 Raman1 Fr= 1--      11.830                 44.369                 14.537
 ROA1   Fr= 1--     -16.388               -320.185                172.801
 CID1   Fr= 1--      -1.385                 -7.216                 11.887
 Raman2 Fr= 1--       2.462                 14.459                  2.961
 ROA2   Fr= 1--      -2.134                -59.052                 36.523
 CID2   Fr= 1--      -0.867                 -4.084                 12.335
 Raman3 Fr= 1--       4.925                 28.918                  5.922
 ROA3   Fr= 1--     -16.388               -320.185                172.801
 CID3   Fr= 1--      -3.328                -11.072                 29.180
 RC180  Fr= 1--      -0.167                  0.304                 -0.185
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.11  -0.01    -0.11  -0.01   0.02     0.15  -0.00   0.09
     2   6    -0.04  -0.06  -0.11    -0.00  -0.07  -0.07    -0.05  -0.02  -0.01
     3   6    -0.02  -0.03   0.06     0.08   0.05  -0.03    -0.02  -0.01  -0.02
     4   6     0.01  -0.03   0.01     0.04   0.02  -0.01    -0.01   0.00  -0.04
     5   6    -0.00  -0.06  -0.10    -0.08  -0.05   0.16    -0.06   0.02  -0.05
     6   6    -0.04   0.07   0.04     0.06  -0.08  -0.04    -0.05  -0.06   0.00
     7   6     0.16  -0.10  -0.00     0.13   0.06  -0.06    -0.01   0.04  -0.13
     8   6     0.01   0.03   0.11    -0.03   0.12   0.04    -0.02  -0.05   0.17
     9   1    -0.29   0.13   0.18    -0.05   0.11  -0.01     0.38   0.14  -0.07
    10   1    -0.27   0.01   0.03     0.12  -0.10  -0.11    -0.02  -0.04  -0.11
    11   1    -0.06  -0.23  -0.13    -0.14   0.02  -0.09    -0.25   0.13  -0.04
    12   1     0.07  -0.08  -0.09    -0.08  -0.28   0.24    -0.11   0.15   0.14
    13   1     0.01   0.05  -0.12    -0.17   0.06   0.03     0.09  -0.14   0.17
    14   1    -0.01   0.00  -0.20    -0.14  -0.18   0.33    -0.04   0.17  -0.26
    15   6    -0.01   0.03   0.01     0.02  -0.03  -0.02    -0.02  -0.01  -0.02
    16   6    -0.00   0.04   0.02    -0.02  -0.04  -0.03     0.09   0.00   0.04
    17   1     0.22  -0.02  -0.05     0.21   0.15  -0.05     0.08   0.20  -0.43
    18   1    -0.20   0.17   0.36    -0.15   0.35   0.17    -0.04   0.03   0.20
    19   1    -0.11   0.10  -0.04     0.01   0.02  -0.00    -0.04  -0.04   0.15
    20   1     0.02  -0.05  -0.04    -0.02   0.06   0.03    -0.01   0.06  -0.09
    21   1     0.01   0.04  -0.17    -0.00  -0.04   0.19     0.01  -0.02   0.06
    22   1     0.03  -0.12   0.14    -0.03   0.13  -0.16     0.01   0.03  -0.03
    23   1     0.04  -0.09  -0.04    -0.10   0.03   0.01     0.19   0.09   0.05
    24   1    -0.19  -0.14  -0.09     0.14   0.07   0.08     0.09   0.07   0.00
    25   1     0.27   0.01   0.03    -0.20  -0.02  -0.02    -0.03   0.02  -0.04
    26   1     0.17   0.04   0.10    -0.20   0.07   0.01    -0.14   0.07  -0.10
                     22                     23                     24
                      A                      A                      A
 Frequencies --    909.6935               919.4357               941.1284
 Red. masses --      1.4301                 1.8501                 2.0311
 Frc consts  --      0.6973                 0.9215                 1.0599
 IR Inten    --     35.2518                 5.6351                 1.6390
 RamAct Fr= 1--     11.4048                 1.9780                 6.0456
  Dep-P Fr= 1--      0.6906                 0.5170                 0.4811
  Dep-U Fr= 1--      0.8170                 0.6816                 0.6496
 Alpha2 Fr= 1--      0.0119                 0.0090                 0.0325
 Beta2  Fr= 1--      1.5529                 0.2247                 0.6546
 AlphaG Fr= 1--     -0.0799                -0.1033                 0.0837
 Gamma2 Fr= 1--     -0.7513                 0.8329                 4.3947
 Delta2 Fr= 1--     -0.0652                -0.3019                 2.0728
 Raman1 Fr= 1--      45.619                  7.912                 24.182
 ROA1   Fr= 1--     -74.215                 70.299                488.222
 CID1   Fr= 1--      -1.627                  8.885                 20.189
 Raman2 Fr= 1--      18.635                  2.696                  7.855
 ROA2   Fr= 1--     -17.511                 22.406                 88.891
 CID2   Fr= 1--      -0.940                  8.310                 11.317
 Raman3 Fr= 1--      37.269                  5.393                 15.710
 ROA3   Fr= 1--     -74.215                 70.299                488.222
 CID3   Fr= 1--      -1.991                 13.036                 31.078
 RC180  Fr= 1--       0.634                  0.363                  0.299
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.01   0.00     0.04   0.06  -0.02    -0.08   0.05   0.01
     2   6     0.03   0.02  -0.01    -0.06  -0.00  -0.00     0.03  -0.08  -0.05
     3   6    -0.02  -0.01   0.06    -0.06  -0.06  -0.01     0.04   0.01   0.03
     4   6     0.08   0.07  -0.12    -0.01  -0.04  -0.09     0.05  -0.02   0.03
     5   6     0.02  -0.03  -0.05    -0.03   0.13   0.11    -0.09   0.13  -0.06
     6   6    -0.01   0.02   0.01     0.02  -0.01  -0.01    -0.05  -0.05   0.01
     7   6    -0.02   0.00   0.02     0.05  -0.06   0.04    -0.01   0.08   0.09
     8   6    -0.02  -0.02  -0.01     0.10   0.02  -0.05     0.02  -0.10  -0.03
     9   1    -0.04   0.04   0.03    -0.08   0.02   0.07    -0.17   0.20   0.11
    10   1     0.06   0.03   0.11    -0.28   0.03  -0.06     0.07  -0.09  -0.07
    11   1     0.05  -0.10  -0.02    -0.00   0.00   0.01     0.13  -0.03  -0.03
    12   1    -0.23  -0.28   0.47    -0.26   0.19   0.39     0.12  -0.18  -0.10
    13   1    -0.38  -0.19   0.57     0.27  -0.26   0.17    -0.09   0.05  -0.03
    14   1     0.09  -0.02  -0.09    -0.16   0.15   0.12    -0.11   0.28  -0.26
    15   6    -0.00   0.01   0.00     0.01  -0.01  -0.01    -0.01  -0.04  -0.04
    16   6    -0.01   0.01   0.01    -0.00  -0.01  -0.02     0.05   0.01   0.04
    17   1    -0.04  -0.03   0.07     0.03  -0.09   0.07     0.11   0.20   0.20
    18   1     0.05   0.03  -0.10    -0.09  -0.27   0.19     0.07  -0.07  -0.09
    19   1     0.02   0.01   0.10    -0.06  -0.02  -0.38     0.19  -0.43  -0.14
    20   1     0.00  -0.01  -0.00    -0.01   0.03   0.01    -0.03   0.17  -0.10
    21   1     0.00   0.01  -0.04    -0.00  -0.02   0.08     0.04  -0.06   0.27
    22   1     0.01  -0.03   0.04    -0.01   0.05  -0.06     0.01   0.16  -0.13
    23   1     0.02  -0.02  -0.01    -0.09  -0.01  -0.00     0.18   0.04   0.03
    24   1    -0.07  -0.04  -0.03     0.07   0.03   0.04    -0.02   0.01  -0.04
    25   1     0.07   0.00   0.00    -0.05  -0.00   0.02     0.05   0.01  -0.02
    26   1     0.01  -0.09  -0.03     0.14   0.04   0.05    -0.05   0.08   0.06
                     25                     26                     27
                      A                      A                      A
 Frequencies --    956.9516               970.4257               992.5283
 Red. masses --      1.5056                 1.9395                 1.6957
 Frc consts  --      0.8124                 1.0761                 0.9842
 IR Inten    --      0.9269                 1.0595                 0.3031
 RamAct Fr= 1--      3.5066                 2.9752                 0.9478
  Dep-P Fr= 1--      0.6789                 0.7447                 0.4913
  Dep-U Fr= 1--      0.8087                 0.8537                 0.6589
 Alpha2 Fr= 1--      0.0044                 0.0003                 0.0049
 Beta2  Fr= 1--      0.4726                 0.4233                 0.1041
 AlphaG Fr= 1--      0.0185                 0.0040                 0.0412
 Gamma2 Fr= 1--      0.4792                -2.3611                 0.0835
 Delta2 Fr= 1--     -0.1736                -1.8481                -0.1826
 Raman1 Fr= 1--      14.026                 11.901                  3.791
 ROA1   Fr= 1--      40.443               -285.801                  2.171
 CID1   Fr= 1--       2.883                -24.016                  0.573
 Raman2 Fr= 1--       5.672                  5.080                  1.249
 ROA2   Fr= 1--      12.889                -41.880                  3.464
 CID2   Fr= 1--       2.273                 -8.245                  2.774
 Raman3 Fr= 1--      11.343                 10.159                  2.498
 ROA3   Fr= 1--      40.443               -285.801                  2.171
 CID3   Fr= 1--       3.565                -28.133                  0.869
 RC180  Fr= 1--       0.617                  0.707                  0.318
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.03    -0.04  -0.03  -0.05    -0.08   0.03   0.10
     2   6    -0.00  -0.01  -0.03     0.02   0.06   0.04     0.08   0.04  -0.07
     3   6     0.00  -0.00  -0.01     0.01   0.00  -0.00    -0.00  -0.00  -0.07
     4   6    -0.01  -0.01  -0.00     0.02   0.00   0.01    -0.06  -0.05  -0.03
     5   6    -0.01   0.03  -0.01     0.03   0.02   0.05     0.06   0.03   0.04
     6   6     0.09   0.02   0.05    -0.08  -0.09   0.10    -0.00  -0.02   0.04
     7   6     0.01   0.00   0.01     0.03  -0.06  -0.04     0.07  -0.03  -0.01
     8   6    -0.01  -0.04   0.03     0.01   0.06  -0.06    -0.05  -0.02   0.00
     9   1     0.05   0.09   0.01    -0.09  -0.16  -0.04     0.06   0.26   0.03
    10   1     0.01  -0.01   0.00     0.01   0.06   0.08     0.14   0.07   0.23
    11   1    -0.06  -0.03  -0.04     0.05  -0.01   0.04    -0.17  -0.20  -0.14
    12   1     0.00   0.06  -0.03     0.01  -0.08   0.01    -0.06   0.35  -0.03
    13   1     0.03  -0.04   0.03    -0.05   0.04  -0.03     0.26  -0.20   0.09
    14   1    -0.05   0.06  -0.04     0.10   0.01   0.04     0.12   0.04   0.01
    15   6     0.10   0.05  -0.04    -0.05   0.04  -0.10    -0.04   0.00  -0.03
    16   6    -0.11  -0.05   0.02     0.04  -0.05   0.12    -0.01   0.01  -0.00
    17   1    -0.00  -0.02   0.07     0.02  -0.04  -0.16     0.09  -0.06   0.27
    18   1     0.04  -0.03  -0.02    -0.05  -0.01   0.02     0.17  -0.11  -0.26
    19   1     0.03  -0.08   0.05    -0.10   0.18  -0.12     0.03   0.08   0.29
    20   1    -0.06  -0.25   0.48    -0.00   0.11  -0.27     0.01   0.11  -0.21
    21   1    -0.25   0.11  -0.28     0.03   0.03  -0.09     0.08  -0.02   0.05
    22   1    -0.22   0.07  -0.37     0.02   0.01  -0.00     0.06   0.00   0.07
    23   1     0.23   0.08  -0.01     0.63   0.23   0.10    -0.05  -0.04  -0.01
    24   1    -0.29  -0.01  -0.20    -0.20   0.08  -0.21    -0.03  -0.04   0.01
    25   1    -0.20  -0.03  -0.20    -0.20  -0.00  -0.25     0.06  -0.00   0.04
    26   1    -0.07   0.01  -0.02     0.07  -0.06   0.01    -0.24  -0.00  -0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1012.3060              1032.9575              1066.5896
 Red. masses --      1.4767                 1.8057                 1.7341
 Frc consts  --      0.8916                 1.1352                 1.1623
 IR Inten    --      0.1185                 0.1835                 0.4068
 RamAct Fr= 1--      1.5069                 5.4233                 5.6235
  Dep-P Fr= 1--      0.1474                 0.0952                 0.4608
  Dep-U Fr= 1--      0.2569                 0.1739                 0.6309
 Alpha2 Fr= 1--      0.0234                 0.0961                 0.0330
 Beta2  Fr= 1--      0.0645                 0.1572                 0.5913
 AlphaG Fr= 1--      0.0081                 0.0747                -0.0893
 Gamma2 Fr= 1--      0.7709                -0.1488                -0.8053
 Delta2 Fr= 1--      0.4934                -0.3218                -0.9000
 Raman1 Fr= 1--       6.027                 21.693                 22.494
 ROA1   Fr= 1--      89.797                -24.585               -106.113
 CID1   Fr= 1--      14.898                 -1.133                 -4.717
 Raman2 Fr= 1--       0.774                  1.886                  7.096
 ROA2   Fr= 1--      14.555                 -0.997                -12.128
 CID2   Fr= 1--      18.798                 -0.529                 -1.709
 Raman3 Fr= 1--       1.549                  3.773                 14.192
 ROA3   Fr= 1--      89.797                -24.585               -106.113
 CID3   Fr= 1--      57.986                 -6.517                 -7.477
 RC180  Fr= 1--      -0.486                 -0.652                  0.262
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.09  -0.02    -0.01  -0.08   0.00     0.07  -0.09  -0.02
     2   6    -0.05   0.06  -0.01    -0.01   0.09  -0.02    -0.13   0.02  -0.06
     3   6     0.03   0.02  -0.01     0.03   0.01  -0.01     0.02   0.02   0.02
     4   6     0.02   0.02   0.02     0.05   0.03   0.04    -0.04  -0.00  -0.02
     5   6    -0.02   0.04   0.03    -0.08   0.13   0.02     0.07  -0.01  -0.03
     6   6     0.01   0.00   0.01     0.03  -0.01   0.02     0.01  -0.01   0.02
     7   6     0.03  -0.04  -0.02     0.06  -0.10  -0.02     0.03   0.09   0.11
     8   6     0.01  -0.00   0.01    -0.02  -0.04   0.03    -0.01  -0.01  -0.03
     9   1     0.11  -0.12  -0.09     0.09  -0.08  -0.08     0.07   0.03  -0.00
    10   1    -0.03   0.07   0.12    -0.06   0.13   0.19    -0.15   0.04   0.05
    11   1    -0.17  -0.07  -0.05    -0.14  -0.16  -0.07    -0.16  -0.08  -0.07
    12   1     0.04  -0.10  -0.02     0.13  -0.22  -0.09    -0.05   0.19  -0.01
    13   1    -0.10   0.09  -0.03    -0.21   0.13  -0.01     0.10  -0.08   0.05
    14   1     0.00   0.04   0.02    -0.19   0.26  -0.13     0.38  -0.17   0.11
    15   6     0.02  -0.07  -0.04    -0.03   0.07   0.02    -0.03   0.01  -0.01
    16   6    -0.04   0.09   0.03     0.01  -0.04  -0.06    -0.01  -0.02   0.01
    17   1    -0.10  -0.18  -0.05    -0.07  -0.26  -0.02    -0.00   0.04   0.20
    18   1    -0.01  -0.03   0.03    -0.02   0.06   0.04    -0.14   0.47   0.12
    19   1    -0.02   0.04   0.02     0.10  -0.23   0.02     0.21  -0.42  -0.16
    20   1    -0.05   0.17   0.03     0.04  -0.10  -0.09     0.01   0.03  -0.12
    21   1     0.00  -0.08   0.36     0.03   0.07  -0.29     0.05   0.00  -0.02
    22   1    -0.03   0.24  -0.26     0.04  -0.18   0.22     0.04  -0.03   0.09
    23   1    -0.01  -0.20  -0.10    -0.20   0.03   0.02     0.07   0.04   0.02
    24   1    -0.34  -0.24  -0.12     0.25   0.10   0.13    -0.03   0.01  -0.02
    25   1     0.48   0.03   0.08    -0.20  -0.02   0.04    -0.09  -0.01  -0.05
    26   1    -0.01  -0.11  -0.07    -0.04  -0.18  -0.10     0.02  -0.13  -0.09
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1080.4611              1103.0372              1132.2573
 Red. masses --      1.8455                 1.3001                 1.4716
 Frc consts  --      1.2693                 0.9320                 1.1115
 IR Inten    --      1.1460                 0.1015                 5.1091
 RamAct Fr= 1--      2.3944                 2.9156                 3.3057
  Dep-P Fr= 1--      0.7243                 0.3554                 0.5995
  Dep-U Fr= 1--      0.8401                 0.5244                 0.7496
 Alpha2 Fr= 1--      0.0011                 0.0252                 0.0092
 Beta2  Fr= 1--      0.3353                 0.2548                 0.4130
 AlphaG Fr= 1--      0.0147                 0.0332                -0.1659
 Gamma2 Fr= 1--     -2.2440                 0.5601                -2.7414
 Delta2 Fr= 1--     -0.8811                 0.2799                -0.6663
 Raman1 Fr= 1--       9.578                 11.662                 13.223
 ROA1   Fr= 1--    -243.618                 62.728               -284.498
 CID1   Fr= 1--     -25.436                  5.379                -21.516
 Raman2 Fr= 1--       4.023                  3.058                  4.956
 ROA2   Fr= 1--     -46.806                 11.204                -60.464
 CID2   Fr= 1--     -11.634                  3.664                -12.200
 Raman3 Fr= 1--       8.046                  6.116                  9.912
 ROA3   Fr= 1--    -243.618                 62.728               -284.498
 CID3   Fr= 1--     -30.277                 10.257                -28.702
 RC180  Fr= 1--       0.680                  0.049                  0.499
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.02  -0.09    -0.03  -0.01   0.05    -0.00  -0.02   0.05
     2   6     0.00  -0.02   0.09     0.06  -0.00  -0.02    -0.00   0.02  -0.03
     3   6     0.00  -0.01   0.07     0.04   0.03  -0.02    -0.01  -0.01  -0.02
     4   6     0.00  -0.05  -0.03    -0.02  -0.02  -0.01     0.01   0.01   0.01
     5   6     0.05   0.13   0.02    -0.03   0.02   0.00     0.04   0.04  -0.08
     6   6     0.00   0.01   0.01    -0.00  -0.01  -0.02    -0.02   0.08   0.06
     7   6     0.05  -0.05  -0.05    -0.09  -0.04  -0.01    -0.02  -0.04   0.06
     8   6    -0.13  -0.07   0.00     0.05   0.01   0.00     0.02  -0.06  -0.03
     9   1    -0.21  -0.16  -0.00    -0.04   0.31   0.12     0.06   0.10   0.02
    10   1     0.01  -0.06  -0.14     0.25  -0.02   0.10    -0.24   0.09   0.07
    11   1     0.12   0.16   0.13     0.38  -0.14   0.02     0.13  -0.13  -0.02
    12   1    -0.03   0.11   0.03    -0.03   0.13  -0.01     0.05  -0.02  -0.07
    13   1     0.16  -0.13   0.04     0.10  -0.08   0.04    -0.09   0.02   0.05
    14   1     0.27   0.03   0.10     0.07  -0.06   0.08    -0.30  -0.23   0.37
    15   6     0.02  -0.01  -0.01     0.00   0.01   0.01     0.01  -0.05  -0.03
    16   6    -0.01   0.02  -0.02    -0.00   0.03   0.01     0.01  -0.05  -0.03
    17   1     0.11   0.08  -0.40    -0.31  -0.23  -0.38     0.19   0.26  -0.26
    18   1    -0.02   0.42  -0.14    -0.19   0.27   0.28    -0.04   0.11   0.04
    19   1     0.14  -0.18   0.36     0.02  -0.12  -0.21    -0.11   0.25   0.13
    20   1    -0.01  -0.00   0.07     0.01  -0.04   0.02    -0.04   0.12   0.03
    21   1    -0.03  -0.00   0.03    -0.00   0.01  -0.05    -0.02  -0.05   0.21
    22   1    -0.02   0.05  -0.08    -0.01  -0.03   0.02    -0.00   0.15  -0.15
    23   1    -0.10  -0.05  -0.02     0.01  -0.04  -0.02    -0.06   0.09   0.05
    24   1     0.02  -0.03   0.04    -0.05  -0.05  -0.01     0.15   0.11   0.05
    25   1     0.06   0.00   0.05     0.11   0.01   0.01    -0.21  -0.02   0.00
    26   1     0.14   0.07   0.10    -0.07  -0.10  -0.06    -0.03  -0.19  -0.11
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1171.5632              1214.7820              1225.6054
 Red. masses --      1.5883                 1.5442                 1.5578
 Frc consts  --      1.2844                 1.3426                 1.3787
 IR Inten    --      2.2865                 1.4122                 1.0076
 RamAct Fr= 1--      9.2477                11.5638                 2.6546
  Dep-P Fr= 1--      0.7468                 0.5545                 0.6746
  Dep-U Fr= 1--      0.8550                 0.7134                 0.8057
 Alpha2 Fr= 1--      0.0005                 0.0431                 0.0035
 Beta2  Fr= 1--      1.3179                 1.3749                 0.3564
 AlphaG Fr= 1--     -0.0054                -0.0721                -0.0148
 Gamma2 Fr= 1--      1.7370                -1.7019                -0.5544
 Delta2 Fr= 1--     -0.4592                 0.2185                 0.4705
 Raman1 Fr= 1--      36.991                 46.255                 10.618
 ROA1   Fr= 1--     152.059               -156.392                -38.167
 CID1   Fr= 1--       4.111                 -3.381                 -3.594
 Raman2 Fr= 1--      15.814                 16.499                  4.277
 ROA2   Fr= 1--      45.362                -42.594                -17.070
 CID2   Fr= 1--       2.868                 -2.582                 -3.991
 Raman3 Fr= 1--      31.629                 32.997                  8.555
 ROA3   Fr= 1--     152.059               -156.392                -38.167
 CID3   Fr= 1--       4.808                 -4.740                 -4.462
 RC180  Fr= 1--       0.710                  0.427                  0.611
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.03     0.00  -0.01   0.02    -0.03   0.02   0.01
     2   6    -0.01  -0.05   0.01    -0.03  -0.01   0.02     0.06   0.03  -0.05
     3   6    -0.02  -0.02   0.05     0.01  -0.00  -0.02    -0.02   0.00   0.03
     4   6    -0.00   0.01  -0.01    -0.01   0.01   0.00     0.02  -0.02  -0.01
     5   6     0.03   0.04  -0.07     0.01   0.03  -0.01     0.02   0.08  -0.05
     6   6     0.13   0.03   0.06     0.12  -0.11  -0.07    -0.06  -0.06  -0.11
     7   6     0.01   0.03  -0.03     0.01   0.03   0.02    -0.05  -0.04   0.02
     8   6     0.01  -0.03   0.03    -0.04   0.02   0.01     0.02  -0.01   0.04
     9   1    -0.06   0.01   0.04    -0.04   0.17   0.08     0.16  -0.42  -0.22
    10   1     0.40  -0.13  -0.04    -0.29   0.02  -0.09     0.06   0.05   0.10
    11   1    -0.17   0.12  -0.01     0.27  -0.01   0.08    -0.25  -0.06  -0.12
    12   1    -0.01   0.02  -0.01     0.00   0.03  -0.02     0.03  -0.05  -0.01
    13   1    -0.03   0.02   0.00    -0.05   0.02   0.02     0.06  -0.05   0.02
    14   1    -0.42  -0.11   0.23    -0.28  -0.06   0.17    -0.12  -0.28   0.46
    15   6    -0.08  -0.02  -0.03    -0.05   0.04   0.03     0.02   0.02   0.04
    16   6    -0.05  -0.03   0.00    -0.04   0.04   0.04     0.01   0.03   0.04
    17   1    -0.29  -0.33   0.04     0.18   0.27  -0.23     0.10   0.13   0.09
    18   1    -0.02   0.04   0.06     0.12  -0.22  -0.17    -0.03   0.01   0.10
    19   1    -0.01   0.01   0.03     0.03  -0.05   0.05     0.03  -0.12  -0.08
    20   1     0.00   0.15  -0.29     0.05  -0.09  -0.16     0.02  -0.12   0.08
    21   1     0.15  -0.05   0.10     0.12   0.02  -0.14    -0.03   0.03  -0.07
    22   1     0.12   0.03   0.14     0.04  -0.13   0.21    -0.03  -0.11   0.07
    23   1     0.00   0.01  -0.00     0.09  -0.12  -0.06     0.13  -0.03  -0.01
    24   1    -0.11  -0.01  -0.07    -0.23  -0.12  -0.09    -0.07  -0.02  -0.03
    25   1    -0.13  -0.02  -0.07     0.17   0.02  -0.06     0.13   0.02  -0.04
    26   1     0.01   0.23   0.11     0.07  -0.28  -0.14    -0.13   0.31   0.15
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1231.6600              1244.9767              1264.6837
 Red. masses --      1.7511                 2.2311                 1.4647
 Frc consts  --      1.5651                 2.0375                 1.3802
 IR Inten    --      1.1306                 2.5855                 1.1033
 RamAct Fr= 1--      9.3739                 5.0172                 4.6584
  Dep-P Fr= 1--      0.6274                 0.1667                 0.5385
  Dep-U Fr= 1--      0.7711                 0.2857                 0.7000
 Alpha2 Fr= 1--      0.0209                 0.0743                 0.0190
 Beta2  Fr= 1--      1.2047                 0.2389                 0.5435
 AlphaG Fr= 1--     -0.0480                -0.0217                -0.0665
 Gamma2 Fr= 1--     -1.3623                -1.8810                 0.8298
 Delta2 Fr= 1--     -0.5944                -0.7721                 0.5585
 Raman1 Fr= 1--      37.496                 20.069                 18.634
 ROA1   Fr= 1--    -149.803               -205.282                 97.538
 CID1   Fr= 1--      -3.995                -10.229                  5.235
 Raman2 Fr= 1--      14.456                  2.867                  6.522
 ROA2   Fr= 1--     -27.941                -38.967                 15.448
 CID2   Fr= 1--      -1.933                -13.591                  2.369
 Raman3 Fr= 1--      28.912                  5.734                 13.044
 ROA3   Fr= 1--    -149.803               -205.282                 97.538
 CID3   Fr= 1--      -5.181                -35.799                  7.478
 RC180  Fr= 1--       0.542                 -0.429                  0.400
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.05  -0.05     0.02   0.02   0.01     0.03  -0.03  -0.04
     2   6    -0.07   0.01  -0.01    -0.00  -0.00  -0.05    -0.03   0.01   0.04
     3   6     0.05   0.03   0.03    -0.05  -0.04   0.00    -0.00  -0.01  -0.02
     4   6    -0.01  -0.01  -0.01     0.01   0.01   0.00    -0.00   0.02   0.01
     5   6    -0.09   0.03  -0.01     0.02  -0.03  -0.01     0.02   0.02  -0.06
     6   6    -0.03  -0.08  -0.04     0.04  -0.14   0.22    -0.11  -0.02   0.02
     7   6     0.05   0.04   0.08    -0.06  -0.01   0.08     0.04  -0.03   0.00
     8   6     0.06  -0.11  -0.07     0.01   0.06  -0.05    -0.03   0.08   0.05
     9   1    -0.12   0.21   0.12     0.09  -0.16  -0.07    -0.20   0.43   0.22
    10   1     0.39  -0.06   0.08     0.19  -0.02   0.09     0.31  -0.06   0.02
    11   1    -0.16   0.06  -0.01    -0.09  -0.02  -0.06    -0.22   0.11   0.01
    12   1    -0.03   0.05   0.03     0.02  -0.07  -0.01     0.00   0.01  -0.01
    13   1     0.07  -0.03  -0.01    -0.05   0.04  -0.02    -0.06   0.04  -0.00
    14   1     0.06  -0.03   0.04     0.04   0.04  -0.11    -0.04  -0.23   0.29
    15   6     0.01   0.04   0.02     0.01   0.05  -0.06     0.04   0.01  -0.00
    16   6     0.01   0.02   0.00    -0.01   0.06  -0.08     0.03   0.01  -0.01
    17   1     0.04   0.05  -0.02     0.14   0.32  -0.40    -0.00  -0.08  -0.02
    18   1    -0.03   0.07   0.04     0.01  -0.03  -0.05     0.15  -0.33  -0.15
    19   1    -0.28   0.64   0.28     0.04  -0.06  -0.17     0.12  -0.28  -0.13
    20   1     0.03  -0.12   0.03     0.02  -0.00  -0.09    -0.01  -0.04   0.13
    21   1    -0.03   0.05  -0.15    -0.05   0.07  -0.22    -0.11   0.03  -0.01
    22   1    -0.05  -0.11   0.05    -0.07   0.03  -0.13    -0.07  -0.02  -0.10
    23   1     0.01  -0.03  -0.02    -0.32  -0.14  -0.09    -0.04   0.02   0.01
    24   1     0.02  -0.02   0.03     0.08  -0.15   0.14     0.09   0.01   0.05
    25   1     0.08   0.01   0.02     0.12   0.02   0.22     0.02   0.00   0.07
    26   1     0.03   0.07   0.04    -0.11   0.30   0.13     0.12  -0.14  -0.07
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1288.8859              1293.3832              1317.6069
 Red. masses --      1.6423                 1.7058                 1.8432
 Frc consts  --      1.6074                 1.6813                 1.8853
 IR Inten    --      2.7381                 0.8457                 0.5052
 RamAct Fr= 1--      4.7069                 3.4527                 5.2732
  Dep-P Fr= 1--      0.5519                 0.5206                 0.3357
  Dep-U Fr= 1--      0.7113                 0.6847                 0.5026
 Alpha2 Fr= 1--      0.0178                 0.0154                 0.0485
 Beta2  Fr= 1--      0.5580                 0.3940                 0.4417
 AlphaG Fr= 1--     -0.0322                 0.0401                -0.0385
 Gamma2 Fr= 1--      4.5617                 0.8923                -3.3818
 Delta2 Fr= 1--      3.5181                 0.3899                -1.3411
 Raman1 Fr= 1--      18.828                 13.811                 21.093
 ROA1   Fr= 1--     550.499                 98.136               -367.568
 CID1   Fr= 1--      29.239                  7.106                -17.426
 Raman2 Fr= 1--       6.696                  4.728                  5.301
 ROA2   Fr= 1--      81.335                 18.295                -70.434
 CID2   Fr= 1--      12.147                  3.869                -13.288
 Raman3 Fr= 1--      13.392                  9.457                 10.601
 ROA3   Fr= 1--     550.499                 98.136               -367.568
 CID3   Fr= 1--      41.106                 10.377                -34.671
 RC180  Fr= 1--       0.423                  0.369                  0.005
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.06   0.02     0.02   0.04   0.04    -0.03  -0.04   0.01
     2   6     0.02  -0.02   0.05     0.03  -0.04  -0.00    -0.04   0.00  -0.02
     3   6    -0.00  -0.01  -0.02    -0.14  -0.08  -0.11     0.08   0.09   0.08
     4   6     0.00   0.00   0.00     0.07   0.01   0.04    -0.02  -0.04  -0.03
     5   6     0.06   0.02  -0.01    -0.05   0.08  -0.00    -0.09   0.00  -0.10
     6   6    -0.04  -0.10   0.07     0.03  -0.01   0.01    -0.03  -0.04   0.09
     7   6    -0.04   0.04  -0.12     0.02   0.06  -0.01     0.07   0.07  -0.06
     8   6     0.04  -0.06  -0.00     0.02  -0.03   0.01     0.01   0.02   0.05
     9   1    -0.01  -0.04  -0.02     0.02   0.12   0.05     0.11  -0.23  -0.13
    10   1    -0.06  -0.02  -0.06    -0.21   0.00  -0.07    -0.27   0.04  -0.08
    11   1    -0.06   0.12   0.05     0.02   0.03   0.00     0.52  -0.12   0.07
    12   1     0.02   0.01  -0.03     0.13  -0.32  -0.07    -0.02   0.05  -0.01
    13   1    -0.04   0.00   0.02    -0.11   0.08  -0.02     0.21  -0.15   0.06
    14   1    -0.23   0.00   0.09     0.70  -0.25   0.27     0.07  -0.23   0.18
    15   6     0.02   0.03  -0.02    -0.01   0.01   0.00     0.01   0.01  -0.02
    16   6     0.01   0.05  -0.02    -0.00   0.00  -0.00     0.02   0.01  -0.03
    17   1     0.03   0.01   0.55    -0.18  -0.18  -0.01    -0.16  -0.24   0.15
    18   1    -0.14   0.33   0.21     0.00  -0.05   0.04     0.14  -0.30  -0.11
    19   1    -0.05   0.07  -0.00    -0.05   0.12   0.10    -0.05   0.07  -0.00
    20   1     0.01  -0.04   0.02     0.01  -0.00  -0.05     0.00  -0.01   0.00
    21   1    -0.07   0.04  -0.09     0.02   0.00  -0.03    -0.04   0.02  -0.04
    22   1    -0.07  -0.03  -0.08     0.00  -0.01   0.02    -0.04   0.00  -0.06
    23   1    -0.11  -0.09  -0.05    -0.01  -0.03  -0.01    -0.13  -0.01  -0.00
    24   1     0.01  -0.11   0.06    -0.02  -0.02  -0.00     0.05  -0.05   0.04
    25   1     0.08   0.02   0.10    -0.01   0.00  -0.01    -0.06   0.00   0.09
    26   1     0.20  -0.45  -0.21    -0.03   0.03  -0.00    -0.10   0.11   0.07
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1327.0278              1349.9229              1373.8691
 Red. masses --      1.6437                 1.6964                 1.4409
 Frc consts  --      1.7054                 1.8214                 1.6024
 IR Inten    --      1.8627                 1.4534                 0.2508
 RamAct Fr= 1--      1.3267                 4.1718                 2.2418
  Dep-P Fr= 1--      0.6893                 0.5212                 0.7363
  Dep-U Fr= 1--      0.8161                 0.6852                 0.8481
 Alpha2 Fr= 1--      0.0014                 0.0186                 0.0005
 Beta2  Fr= 1--      0.1804                 0.4764                 0.3169
 AlphaG Fr= 1--     -0.0011                -0.0248                -0.0011
 Gamma2 Fr= 1--      1.8210                -0.8914                 0.0051
 Delta2 Fr= 1--      1.2641                -0.8357                -0.3029
 Raman1 Fr= 1--       5.307                 16.687                  8.967
 ROA1   Fr= 1--     215.272               -112.313                 -9.201
 CID1   Fr= 1--      40.564                 -6.731                 -1.026
 Raman2 Fr= 1--       2.165                  5.717                  3.803
 ROA2   Fr= 1--      33.592                -14.708                  2.547
 CID2   Fr= 1--      15.513                 -2.573                  0.670
 Raman3 Fr= 1--       4.331                 11.434                  7.605
 ROA3   Fr= 1--     215.272               -112.313                 -9.201
 CID3   Fr= 1--      49.707                 -9.822                 -1.210
 RC180  Fr= 1--       0.632                  0.370                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.06   0.01    -0.01   0.13   0.07     0.03   0.02   0.03
     2   6    -0.02   0.02  -0.02    -0.07  -0.05  -0.05    -0.14   0.04  -0.02
     3   6    -0.05  -0.08  -0.03    -0.03   0.00  -0.03    -0.05  -0.02  -0.03
     4   6     0.00   0.04   0.01     0.01  -0.01   0.00     0.02   0.01   0.01
     5   6     0.12   0.00   0.04     0.05  -0.01   0.02    -0.00   0.02   0.01
     6   6    -0.09  -0.05  -0.03    -0.06  -0.01  -0.03     0.02   0.03  -0.01
     7   6     0.06   0.06  -0.01     0.09   0.05   0.09    -0.01  -0.07  -0.06
     8   6    -0.03  -0.03  -0.02    -0.03   0.00  -0.02    -0.00   0.01   0.01
     9   1    -0.00   0.18   0.09     0.17  -0.44  -0.19     0.08  -0.06  -0.03
    10   1    -0.17   0.05  -0.02     0.30  -0.12  -0.00     0.55  -0.07   0.12
    11   1     0.40  -0.10   0.04     0.07   0.00  -0.02     0.56  -0.06   0.10
    12   1    -0.02   0.06   0.03     0.03  -0.09  -0.03     0.04  -0.11  -0.02
    13   1    -0.21   0.15  -0.06     0.05  -0.04   0.03     0.00   0.01  -0.00
    14   1    -0.36   0.14  -0.03    -0.13   0.06  -0.03     0.11  -0.02   0.03
    15   6     0.03   0.02  -0.00     0.02   0.01  -0.00    -0.01  -0.02   0.02
    16   6     0.02   0.02   0.01     0.01  -0.01   0.00    -0.01  -0.01   0.01
    17   1    -0.16  -0.21   0.04    -0.26  -0.28  -0.33     0.32   0.23   0.31
    18   1    -0.03   0.19  -0.03     0.06  -0.04  -0.13    -0.04  -0.04   0.07
    19   1     0.01   0.01   0.09     0.00   0.01   0.05     0.05  -0.06   0.04
    20   1    -0.00  -0.07   0.11    -0.00  -0.05   0.08     0.01   0.04  -0.05
    21   1    -0.08   0.02   0.01    -0.04   0.01   0.04     0.02  -0.01  -0.04
    22   1    -0.05  -0.08  -0.02    -0.02  -0.06   0.01     0.01   0.07  -0.02
    23   1     0.03  -0.02  -0.01     0.04   0.03   0.01     0.01   0.02   0.01
    24   1     0.01  -0.03   0.02     0.03   0.02   0.01    -0.01   0.05  -0.02
    25   1     0.05   0.01   0.03     0.01  -0.01   0.01     0.02  -0.01  -0.04
    26   1    -0.24   0.47   0.21     0.12  -0.39  -0.24    -0.01   0.04   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1405.5161              1423.6932              1456.8154
 Red. masses --      1.2580                 1.2170                 1.1947
 Frc consts  --      1.4642                 1.4534                 1.4939
 IR Inten    --      6.2356                 6.7113                 1.9831
 RamAct Fr= 1--      0.1515                 0.2481                35.7868
  Dep-P Fr= 1--      0.0681                 0.0475                 0.3295
  Dep-U Fr= 1--      0.1275                 0.0907                 0.4956
 Alpha2 Fr= 1--      0.0029                 0.0049                 0.3354
 Beta2  Fr= 1--      0.0032                 0.0038                 2.9563
 AlphaG Fr= 1--     -0.0013                 0.0090                -0.1341
 Gamma2 Fr= 1--      0.0948                -0.0760                -0.5424
 Delta2 Fr= 1--      0.0119                -0.0310                 0.3515
 Raman1 Fr= 1--       0.606                  0.993                143.147
 ROA1   Fr= 1--       9.476                 -8.294                -40.818
 CID1   Fr= 1--      15.639                 -8.356                 -0.285
 Raman2 Fr= 1--       0.039                  0.045                 35.475
 ROA2   Fr= 1--       2.179                 -1.577                -15.829
 CID2   Fr= 1--      56.438                -35.017                 -0.446
 Raman3 Fr= 1--       0.077                  0.090                 70.951
 ROA3   Fr= 1--       9.476                 -8.294                -40.818
 CID3   Fr= 1--     122.705                -92.095                 -0.575
 RC180  Fr= 1--      -0.745                 -0.819                 -0.009
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.02   0.03   0.01
     2   6    -0.00   0.00   0.01    -0.01   0.01   0.00    -0.01  -0.00  -0.01
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.07  -0.08   0.00
     4   6     0.00   0.00   0.00     0.00   0.00   0.00     0.02  -0.03  -0.00
     5   6    -0.01   0.00  -0.01    -0.01  -0.00   0.00    -0.04   0.02  -0.02
     6   6     0.02  -0.01   0.03     0.01   0.00   0.01     0.00   0.00   0.01
     7   6    -0.01  -0.00  -0.01    -0.01  -0.01  -0.00     0.00  -0.00   0.00
     8   6     0.01  -0.00   0.01     0.00   0.01  -0.01     0.00   0.00   0.00
     9   1    -0.01   0.00   0.01     0.01   0.01  -0.00     0.11  -0.09  -0.10
    10   1     0.01  -0.00  -0.03     0.05  -0.01  -0.01     0.04  -0.01   0.01
    11   1     0.03  -0.02   0.01     0.01  -0.02   0.00     0.03   0.00   0.00
    12   1     0.01  -0.02  -0.01     0.01  -0.03  -0.00    -0.12   0.64   0.20
    13   1     0.01  -0.01   0.00     0.02  -0.00   0.00    -0.58   0.27  -0.19
    14   1     0.03  -0.01   0.00     0.04   0.01  -0.02     0.15  -0.07   0.05
    15   6    -0.01   0.04  -0.09    -0.00   0.04  -0.09     0.00   0.00  -0.00
    16   6    -0.10  -0.02  -0.03     0.08   0.02   0.02     0.00  -0.00  -0.00
    17   1     0.03   0.03   0.03     0.05   0.05   0.01    -0.00  -0.00  -0.00
    18   1     0.03   0.02  -0.02    -0.04  -0.04   0.05     0.00  -0.05   0.01
    19   1    -0.04   0.01  -0.06     0.05  -0.01   0.06     0.00   0.00   0.01
    20   1    -0.11  -0.17   0.28    -0.11  -0.17   0.29    -0.00   0.01   0.00
    21   1     0.03  -0.00   0.39    -0.02   0.01   0.44    -0.02   0.00   0.02
    22   1     0.15  -0.27   0.26     0.13  -0.33   0.27     0.00  -0.02   0.01
    23   1     0.36   0.17  -0.04    -0.33  -0.15   0.03    -0.01   0.01   0.01
    24   1     0.29   0.18   0.25    -0.27  -0.20  -0.22     0.00   0.01  -0.01
    25   1     0.41  -0.07   0.11    -0.38   0.07  -0.07    -0.00  -0.00   0.00
    26   1    -0.01   0.01  -0.00     0.01   0.00   0.00     0.10  -0.04   0.04
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1478.3650              1485.1541              1487.0037
 Red. masses --      1.0766                 1.0508                 1.0557
 Frc consts  --      1.3863                 1.3656                 1.3753
 IR Inten    --      3.6404                 3.0541                 2.3279
 RamAct Fr= 1--      5.4084                 5.8968                 1.5846
  Dep-P Fr= 1--      0.6114                 0.7467                 0.7449
  Dep-U Fr= 1--      0.7588                 0.8550                 0.8538
 Alpha2 Fr= 1--      0.0138                 0.0003                 0.0001
 Beta2  Fr= 1--      0.6840                 0.8403                 0.2255
 AlphaG Fr= 1--     -0.0050                 0.0039                -0.0014
 Gamma2 Fr= 1--     -0.8938                -0.4403                -0.3011
 Delta2 Fr= 1--      1.6027                -2.5161                -0.0348
 Raman1 Fr= 1--      21.634                 23.587                  6.338
 ROA1   Fr= 1--     -34.519               -122.790                -30.022
 CID1   Fr= 1--      -1.596                 -5.206                 -4.736
 Raman2 Fr= 1--       8.208                 10.083                  2.706
 ROA2   Fr= 1--     -34.273                  9.561                 -6.949
 CID2   Fr= 1--      -4.175                  0.948                 -2.568
 Raman3 Fr= 1--      16.417                 20.167                  5.412
 ROA3   Fr= 1--     -34.519               -122.790                -30.022
 CID3   Fr= 1--      -2.103                 -6.089                 -5.547
 RC180  Fr= 1--       0.518                  0.710                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.02  -0.01    -0.03  -0.01  -0.00    -0.01   0.00   0.00
     2   6    -0.01   0.01   0.01    -0.00  -0.01  -0.01    -0.00   0.02   0.01
     3   6    -0.02   0.00  -0.00    -0.00   0.00  -0.00    -0.01  -0.00  -0.01
     4   6    -0.00   0.01   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.01  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.01
     6   6     0.00  -0.00   0.01    -0.01  -0.01  -0.00    -0.01   0.00  -0.02
     7   6     0.00   0.01   0.01     0.01   0.00   0.00     0.00  -0.00   0.00
     8   6    -0.00   0.01  -0.02    -0.00   0.00  -0.01    -0.00  -0.01   0.02
     9   1     0.42   0.31  -0.29     0.18   0.13  -0.12     0.06   0.04  -0.04
    10   1     0.03  -0.04  -0.19    -0.01   0.01   0.09     0.06  -0.03  -0.17
    11   1    -0.04  -0.20  -0.02     0.02   0.08   0.01    -0.03  -0.17  -0.02
    12   1     0.01  -0.07  -0.03     0.01  -0.03  -0.01     0.00   0.00   0.00
    13   1     0.06  -0.03   0.02     0.03  -0.01   0.01    -0.02   0.01  -0.00
    14   1    -0.03   0.01  -0.01    -0.02   0.00   0.00     0.01   0.00   0.01
    15   6     0.00   0.01   0.01    -0.00  -0.03  -0.02    -0.04   0.00  -0.00
    16   6    -0.00  -0.01   0.00    -0.01   0.03   0.01     0.01   0.01  -0.03
    17   1    -0.02  -0.01  -0.02    -0.01  -0.01  -0.01     0.01   0.00   0.01
    18   1    -0.10  -0.08   0.10    -0.02  -0.04   0.02     0.07   0.08  -0.08
    19   1     0.09  -0.02   0.12     0.02  -0.00   0.03    -0.08   0.02  -0.12
    20   1     0.08  -0.11  -0.13    -0.19   0.34   0.30    -0.04  -0.29   0.16
    21   1     0.02   0.00   0.10    -0.13   0.01  -0.25     0.46  -0.06  -0.09
    22   1    -0.14  -0.08  -0.09     0.34   0.17   0.23     0.13   0.32  -0.02
    23   1    -0.07   0.06   0.05     0.20  -0.31  -0.18     0.17   0.21   0.03
    24   1    -0.00   0.13  -0.07     0.13  -0.18   0.25    -0.10  -0.36   0.06
    25   1     0.11  -0.02  -0.02    -0.16   0.04  -0.17    -0.20   0.01   0.42
    26   1     0.47  -0.02   0.39     0.20  -0.01   0.16     0.06  -0.00   0.05
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1502.6174              1505.2099              1515.4785
 Red. masses --      1.0715                 1.0673                 1.0670
 Frc consts  --      1.4254                 1.4248                 1.4438
 IR Inten    --      6.1075                 5.9165                 5.1318
 RamAct Fr= 1--      7.6676                 2.8125                 2.6902
  Dep-P Fr= 1--      0.7499                 0.7046                 0.7415
  Dep-U Fr= 1--      0.8571                 0.8267                 0.8516
 Alpha2 Fr= 1--      0.0000                 0.0022                 0.0004
 Beta2  Fr= 1--      1.0953                 0.3875                 0.3818
 AlphaG Fr= 1--      0.0005                 0.0011                -0.0067
 Gamma2 Fr= 1--     -1.4496                 2.6701                 1.3428
 Delta2 Fr= 1--      0.3641                 0.5248                 0.3690
 Raman1 Fr= 1--      30.670                 11.250                 10.761
 ROA1   Fr= 1--    -127.509                273.126                140.718
 CID1   Fr= 1--      -4.157                 24.278                 13.077
 Raman2 Fr= 1--      13.144                  4.650                  4.582
 ROA2   Fr= 1--     -37.703                 59.885                 29.275
 CID2   Fr= 1--      -2.868                 12.878                  6.389
 Raman3 Fr= 1--      26.288                  9.300                  9.164
 ROA3   Fr= 1--    -127.509                273.126                140.718
 CID3   Fr= 1--      -4.851                 29.368                 15.356
 RC180  Fr= 1--       0.714                  0.653                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.02  -0.01  -0.00    -0.00  -0.01  -0.00
     2   6     0.01  -0.02  -0.02    -0.00  -0.03  -0.03     0.00  -0.03  -0.03
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
     4   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6     0.01  -0.00  -0.00    -0.00   0.00   0.01     0.00  -0.01  -0.01
     6   6    -0.02  -0.03   0.01     0.02   0.00  -0.03    -0.01   0.03   0.01
     7   6     0.00   0.01  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.00   0.02  -0.03    -0.00  -0.00   0.01    -0.00   0.02  -0.03
     9   1     0.00   0.01  -0.00     0.10   0.07  -0.07     0.00   0.01  -0.01
    10   1    -0.07   0.04   0.23    -0.07   0.05   0.35    -0.07   0.06   0.35
    11   1     0.02   0.25   0.02     0.07   0.35   0.04     0.05   0.37   0.03
    12   1    -0.00   0.00  -0.00     0.00  -0.03  -0.01    -0.00   0.01   0.00
    13   1     0.01  -0.00   0.00     0.03  -0.01   0.01     0.00  -0.00   0.00
    14   1    -0.03  -0.01   0.01     0.00   0.01   0.00    -0.01   0.00  -0.01
    15   6    -0.03  -0.01  -0.02     0.02  -0.01   0.01    -0.01   0.02   0.01
    16   6     0.01  -0.03   0.01     0.00  -0.01  -0.03    -0.01   0.02  -0.00
    17   1    -0.03  -0.02  -0.00     0.01   0.01  -0.01    -0.01  -0.02   0.00
    18   1    -0.14  -0.13   0.16     0.03   0.04  -0.03    -0.16  -0.17   0.18
    19   1     0.15  -0.03   0.21    -0.04   0.00  -0.05     0.17  -0.05   0.23
    20   1    -0.12  -0.07   0.28    -0.00   0.24  -0.08     0.12  -0.35  -0.14
    21   1     0.26  -0.03  -0.19    -0.32   0.04   0.02     0.25  -0.03   0.17
    22   1     0.25   0.29   0.09    -0.03  -0.20   0.07    -0.19  -0.01  -0.17
    23   1    -0.26   0.21   0.16     0.08   0.38   0.13     0.23  -0.18  -0.13
    24   1    -0.08   0.31  -0.26    -0.17  -0.21  -0.09     0.11  -0.18   0.23
    25   1     0.26  -0.04   0.01    -0.06  -0.03   0.47    -0.16   0.03  -0.06
    26   1     0.00  -0.00   0.00     0.11   0.00   0.10     0.00   0.00   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1523.4688              1711.3242              3023.7682
 Red. masses --      1.0841                 5.7703                 1.0391
 Frc consts  --      1.4825                 9.9566                 5.5975
 IR Inten    --      5.9389                33.4783                15.7442
 RamAct Fr= 1--      3.9654               134.4458                11.8239
  Dep-P Fr= 1--      0.3836                 0.1881                 0.4699
  Dep-U Fr= 1--      0.5545                 0.3166                 0.6393
 Alpha2 Fr= 1--      0.0311                 1.8840                 0.0668
 Beta2  Fr= 1--      0.3665                 7.0949                 1.2599
 AlphaG Fr= 1--      0.0165                -0.0813                -0.0266
 Gamma2 Fr= 1--     -1.0075                -3.3461                 0.5372
 Delta2 Fr= 1--     -0.4502                 3.2504                 0.1451
 Raman1 Fr= 1--      15.862                537.783                 47.295
 ROA1   Fr= 1--    -111.129               -217.216                 56.213
 CID1   Fr= 1--      -7.006                 -0.404                  1.189
 Raman2 Fr= 1--       4.398                 85.138                 15.119
 ROA2   Fr= 1--     -20.579               -106.310                 11.732
 CID2   Fr= 1--      -4.679                 -1.249                  0.776
 Raman3 Fr= 1--       8.796                170.277                 30.238
 ROA3   Fr= 1--    -111.129               -217.216                 56.213
 CID3   Fr= 1--     -12.634                 -1.276                  1.859
 RC180  Fr= 1--       0.109                 -0.367                  0.279
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01   0.00     0.02  -0.06  -0.01    -0.00  -0.00  -0.00
     2   6     0.01   0.02   0.02    -0.00  -0.01  -0.00    -0.00   0.00   0.00
     3   6     0.01   0.00   0.00    -0.31   0.39   0.00    -0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.00     0.26  -0.33  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.01     0.05  -0.04   0.02    -0.00   0.00   0.00
     6   6     0.01  -0.01  -0.01     0.01  -0.00  -0.01     0.00  -0.00   0.00
     7   6    -0.00   0.01   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.00   0.03  -0.06     0.01  -0.00   0.00     0.00  -0.00   0.00
     9   1    -0.12  -0.09   0.09    -0.01   0.16   0.05     0.01  -0.00   0.01
    10   1     0.03  -0.04  -0.28     0.00  -0.01  -0.00    -0.01  -0.03   0.01
    11   1    -0.06  -0.28  -0.03    -0.01   0.01   0.00     0.01   0.00  -0.03
    12   1    -0.00   0.02   0.01     0.16   0.41   0.24    -0.00   0.00  -0.00
    13   1    -0.01   0.00  -0.01    -0.44  -0.05  -0.23     0.00   0.00   0.00
    14   1    -0.01  -0.01  -0.00    -0.17   0.07  -0.06    -0.00  -0.00  -0.00
    15   6     0.01  -0.01   0.00     0.00  -0.00  -0.00     0.01   0.02  -0.03
    16   6    -0.01   0.00  -0.02    -0.00   0.00   0.00    -0.04  -0.02   0.00
    17   1    -0.02   0.00  -0.00     0.00   0.00  -0.00    -0.02   0.02   0.00
    18   1    -0.29  -0.29   0.33     0.01   0.01   0.00    -0.02   0.00  -0.02
    19   1     0.29  -0.07   0.42    -0.01   0.02  -0.01     0.01   0.01  -0.00
    20   1    -0.02   0.19  -0.01    -0.01   0.03  -0.00     0.19   0.04   0.06
    21   1    -0.18   0.02  -0.05    -0.03   0.00  -0.01    -0.05  -0.40  -0.03
    22   1     0.03  -0.05   0.05     0.01  -0.01   0.02    -0.31   0.18   0.30
    23   1     0.16   0.15   0.02     0.00   0.00   0.00     0.04  -0.11   0.26
    24   1    -0.02  -0.16   0.06    -0.01   0.00  -0.01     0.34  -0.18  -0.33
    25   1    -0.04  -0.01   0.24     0.01  -0.00  -0.00     0.04   0.48   0.03
    26   1    -0.14  -0.00  -0.12     0.01  -0.02  -0.01     0.01   0.01  -0.01
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3027.1885              3029.5247              3037.9431
 Red. masses --      1.0689                 1.0400                 1.0667
 Frc consts  --      5.7713                 5.6239                 5.8002
 IR Inten    --      4.7183                50.3511                26.3983
 RamAct Fr= 1--     30.7895               263.7482               127.9418
  Dep-P Fr= 1--      0.1679                 0.0348                 0.2660
  Dep-U Fr= 1--      0.2876                 0.0672                 0.4202
 Alpha2 Fr= 1--      0.4547                 5.4013                 1.4492
 Beta2  Fr= 1--      1.4756                 2.9558                 8.9612
 AlphaG Fr= 1--     -0.7654                -0.1780                -0.1921
 Gamma2 Fr= 1--      4.1837                -2.5117                 7.0682
 Delta2 Fr= 1--     11.9555                 2.6250                -6.2129
 Raman1 Fr= 1--     123.158               1054.993                511.767
 ROA1   Fr= 1--     784.205               -157.119                479.737
 CID1   Fr= 1--       6.367                 -0.149                  0.937
 Raman2 Fr= 1--      17.708                 35.469                107.534
 ROA2   Fr= 1--       4.764                -81.280                219.341
 CID2   Fr= 1--       0.269                 -2.292                  2.040
 Raman3 Fr= 1--      35.416                 70.939                215.069
 ROA3   Fr= 1--     784.205               -157.119                479.737
 CID3   Fr= 1--      22.143                 -2.215                  2.231
 RC180  Fr= 1--      -0.425                 -0.866                 -0.160
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.03  -0.03    -0.00  -0.00   0.00    -0.02  -0.02   0.02
     2   6    -0.01  -0.03  -0.00     0.00  -0.00  -0.00    -0.00  -0.04  -0.04
     3   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     7   6    -0.01   0.01   0.00     0.01  -0.00  -0.00    -0.03   0.02   0.00
     8   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     9   1    -0.15   0.05  -0.22     0.00  -0.00   0.00     0.02  -0.01   0.03
    10   1     0.08   0.39  -0.07     0.00   0.01  -0.00     0.11   0.56  -0.11
    11   1    -0.02  -0.02   0.10    -0.01  -0.01   0.05    -0.11  -0.08   0.55
    12   1     0.01   0.00   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   1    -0.00  -0.01  -0.01    -0.00  -0.00   0.00     0.00   0.01   0.00
    14   1    -0.00  -0.00  -0.00    -0.01  -0.04  -0.03     0.00   0.01   0.01
    15   6     0.00   0.00   0.00    -0.02  -0.02   0.03     0.00   0.00  -0.00
    16   6    -0.00  -0.00   0.00    -0.03  -0.01   0.00    -0.00  -0.00  -0.00
    17   1     0.08  -0.07  -0.01    -0.06   0.05   0.01     0.32  -0.28  -0.05
    18   1    -0.02  -0.00  -0.02    -0.02  -0.00  -0.02    -0.01  -0.00  -0.01
    19   1     0.07   0.04  -0.03     0.02   0.01  -0.01    -0.03  -0.02   0.01
    20   1    -0.01  -0.00  -0.00    -0.23  -0.04  -0.08    -0.01  -0.00  -0.01
    21   1     0.00  -0.00   0.00     0.06   0.46   0.03    -0.00  -0.03  -0.00
    22   1     0.00  -0.00  -0.00     0.36  -0.21  -0.35    -0.02   0.01   0.02
    23   1     0.00  -0.01   0.02     0.04  -0.10   0.23     0.00  -0.00   0.00
    24   1     0.02  -0.01  -0.02     0.29  -0.15  -0.28     0.01  -0.00  -0.00
    25   1     0.00   0.03   0.00     0.03   0.41   0.02     0.00   0.02   0.00
    26   1    -0.44  -0.45   0.57     0.02   0.02  -0.03     0.20   0.20  -0.26
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3053.9508              3064.3009              3066.5072
 Red. masses --      1.0806                 1.0967                 1.0811
 Frc consts  --      5.9380                 6.0672                 5.9898
 IR Inten    --     83.1359                29.9896                32.1320
 RamAct Fr= 1--    198.0656                71.4259                56.2651
  Dep-P Fr= 1--      0.1682                 0.4280                 0.7217
  Dep-U Fr= 1--      0.2879                 0.5995                 0.8384
 Alpha2 Fr= 1--      2.9230                 0.4771                 0.0274
 Beta2  Fr= 1--      9.5042                 7.1363                 7.8620
 AlphaG Fr= 1--      0.3235                 0.1077                 0.0293
 Gamma2 Fr= 1--      5.2331                 9.2757               -22.7193
 Delta2 Fr= 1--      3.6528                17.9058               -12.2710
 Raman1 Fr= 1--     792.262                285.704                225.061
 ROA1   Fr= 1--     619.268               1463.447              -2573.727
 CID1   Fr= 1--       0.782                  5.122                -11.436
 Raman2 Fr= 1--     114.050                 85.636                 94.344
 ROA2   Fr= 1--      96.372                 79.370               -447.096
 CID2   Fr= 1--       0.845                  0.927                 -4.739
 Raman3 Fr= 1--     228.100                171.272                188.687
 ROA3   Fr= 1--     619.268               1463.447              -2573.727
 CID3   Fr= 1--       2.715                  8.545                -13.640
 RC180  Fr= 1--      -0.424                  0.199                  0.677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.01    -0.03   0.01  -0.04    -0.00   0.00   0.00
     2   6    -0.00   0.02   0.02    -0.02  -0.05   0.05     0.00   0.01  -0.01
     3   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.01  -0.01    -0.01  -0.06  -0.04
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.06   0.05   0.01     0.01  -0.01   0.00     0.00  -0.00  -0.00
     8   6    -0.00  -0.01   0.01     0.00   0.00  -0.00    -0.01  -0.02   0.02
     9   1     0.07  -0.01   0.09     0.33  -0.09   0.44     0.01  -0.00   0.01
    10   1    -0.05  -0.25   0.05     0.11   0.55  -0.08    -0.01  -0.07   0.01
    11   1     0.06   0.05  -0.34     0.10   0.06  -0.54    -0.02  -0.01   0.11
    12   1     0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.01   0.00   0.01
    13   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01  -0.02  -0.01
    14   1    -0.01  -0.02  -0.01     0.02   0.10   0.08     0.12   0.69   0.52
    15   6    -0.00  -0.00   0.00    -0.00  -0.01  -0.00     0.00   0.00   0.00
    16   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01  -0.00
    17   1     0.65  -0.55  -0.10    -0.08   0.07   0.01    -0.04   0.03   0.01
    18   1    -0.10  -0.00  -0.07     0.02   0.00   0.01    -0.18  -0.01  -0.14
    19   1     0.12   0.08  -0.06    -0.04  -0.03   0.02     0.30   0.20  -0.15
    20   1    -0.01  -0.00  -0.00     0.03   0.01   0.01    -0.02  -0.00  -0.01
    21   1     0.01   0.05   0.00     0.01   0.07   0.00     0.00   0.01   0.00
    22   1     0.03  -0.02  -0.03    -0.01   0.00   0.01     0.01  -0.00  -0.01
    23   1     0.01  -0.01   0.03     0.00  -0.00   0.00     0.01  -0.01   0.03
    24   1     0.01  -0.00  -0.01     0.02  -0.01  -0.02     0.03  -0.01  -0.03
    25   1     0.01   0.06   0.00    -0.00  -0.03  -0.00    -0.00  -0.06  -0.00
    26   1    -0.04  -0.04   0.04     0.00   0.01  -0.02     0.00   0.01  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3073.9905              3075.0121              3080.2467
 Red. masses --      1.0994                 1.0747                 1.1001
 Frc consts  --      6.1206                 5.9872                 6.1497
 IR Inten    --      1.0410                24.0052                55.3971
 RamAct Fr= 1--     33.2941               255.6282               132.7027
  Dep-P Fr= 1--      0.1463                 0.0190                 0.7338
  Dep-U Fr= 1--      0.2553                 0.0373                 0.8465
 Alpha2 Fr= 1--      0.5195                 5.4336                 0.0367
 Beta2  Fr= 1--      1.4164                 1.5883                18.7216
 AlphaG Fr= 1--      0.4225                 0.5413                 0.2463
 Gamma2 Fr= 1--      6.5743                 2.0354                 1.5103
 Delta2 Fr= 1--      2.0118                 3.7090                -1.0073
 Raman1 Fr= 1--     133.177               1022.513                530.811
 ROA1   Fr= 1--     695.513                314.091                112.757
 CID1   Fr= 1--       5.222                  0.307                  0.212
 Raman2 Fr= 1--      16.997                 19.059                224.660
 ROA2   Fr= 1--     141.690                 19.178                 44.307
 CID2   Fr= 1--       8.336                  1.006                  0.197
 Raman3 Fr= 1--      33.994                 38.119                449.319
 ROA3   Fr= 1--     695.513                314.091                112.757
 CID3   Fr= 1--      20.460                  8.240                  0.251
 RC180  Fr= 1--      -0.489                 -0.925                  0.693
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.01    -0.01  -0.00  -0.01     0.00  -0.00   0.01
     2   6     0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00  -0.00   0.01
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.03   0.02    -0.00  -0.01  -0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     7   6    -0.00   0.00   0.00     0.01  -0.01  -0.00     0.00  -0.00  -0.00
     8   6     0.01   0.01  -0.01    -0.03  -0.03   0.04     0.00   0.00  -0.00
     9   1    -0.07   0.02  -0.09     0.09  -0.02   0.12    -0.08   0.02  -0.10
    10   1    -0.01  -0.03   0.00     0.01   0.05  -0.01     0.01   0.03  -0.00
    11   1     0.00   0.00  -0.01    -0.01  -0.01   0.08     0.01   0.01  -0.06
    12   1     0.01   0.00   0.00    -0.01  -0.00  -0.01     0.00   0.00   0.00
    13   1    -0.00  -0.01  -0.00     0.01   0.02   0.01    -0.00  -0.01  -0.00
    14   1     0.01   0.04   0.03    -0.06  -0.34  -0.26     0.01   0.06   0.05
    15   6     0.02  -0.06  -0.03     0.01  -0.02  -0.01     0.02  -0.05  -0.02
    16   6    -0.02   0.05   0.03    -0.00   0.01  -0.00     0.02  -0.06  -0.03
    17   1     0.05  -0.05  -0.01    -0.11   0.09   0.02    -0.01   0.01   0.00
    18   1     0.06   0.00   0.05    -0.25  -0.01  -0.19    -0.00   0.00  -0.00
    19   1    -0.15  -0.10   0.07     0.58   0.40  -0.29    -0.02  -0.01   0.01
    20   1    -0.01  -0.02  -0.01     0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    21   1     0.08   0.53   0.03     0.02   0.14   0.01     0.07   0.49   0.02
    22   1    -0.31   0.16   0.29    -0.12   0.06   0.11    -0.28   0.15   0.27
    23   1    -0.01   0.03  -0.02     0.01  -0.02   0.05     0.01  -0.03   0.03
    24   1     0.32  -0.16  -0.30     0.01  -0.00  -0.01    -0.35   0.17   0.33
    25   1    -0.05  -0.45  -0.02    -0.01  -0.13  -0.01     0.06   0.53   0.02
    26   1     0.00   0.00  -0.00     0.02   0.03  -0.04     0.03   0.02  -0.03
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3082.0770              3106.8518              3124.0599
 Red. masses --      1.0982                 1.0993                 1.0949
 Frc consts  --      6.1464                 6.2516                 6.2962
 IR Inten    --     40.9448                30.7331                20.9817
 RamAct Fr= 1--     92.5204                26.9858                44.1272
  Dep-P Fr= 1--      0.7229                 0.6896                 0.5252
  Dep-U Fr= 1--      0.8392                 0.8163                 0.6887
 Alpha2 Fr= 1--      0.0431                 0.0286                 0.1927
 Beta2  Fr= 1--     12.9404                 3.6714                 5.0651
 AlphaG Fr= 1--      0.2973                 0.0253                 0.0224
 Gamma2 Fr= 1--    -15.2040                 5.3962                -6.3786
 Delta2 Fr= 1--    -24.5894                 6.2949                -0.5510
 Raman1 Fr= 1--     370.081                107.943                176.509
 ROA1   Fr= 1--   -2246.442                719.475               -629.979
 CID1   Fr= 1--      -6.070                  6.665                 -3.569
 Raman2 Fr= 1--     155.284                 44.057                 60.781
 ROA2   Fr= 1--    -168.180                 79.150               -148.679
 CID2   Fr= 1--      -1.083                  1.797                 -2.446
 Raman3 Fr= 1--     310.569                 88.113                121.562
 ROA3   Fr= 1--   -2246.442                719.475               -629.979
 CID3   Fr= 1--      -7.233                  8.165                 -5.182
 RC180  Fr= 1--       0.678                  0.633                  0.377
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02  -0.07    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.01   0.03  -0.04     0.00   0.00  -0.00     0.00   0.00  -0.01
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     8   6     0.00   0.01  -0.01     0.03   0.01   0.01     0.00   0.00   0.00
     9   1     0.44  -0.11   0.58     0.01  -0.00   0.02     0.00  -0.00   0.00
    10   1    -0.06  -0.27   0.04    -0.00  -0.01   0.00    -0.00  -0.02   0.00
    11   1    -0.08  -0.05   0.44    -0.00  -0.00   0.02    -0.01  -0.01   0.06
    12   1    -0.02  -0.00  -0.01    -0.00  -0.00  -0.00     0.01   0.00   0.00
    13   1     0.00   0.01   0.01     0.00   0.00   0.00    -0.00  -0.01  -0.00
    14   1     0.00   0.01   0.00    -0.00  -0.01  -0.01    -0.00   0.00   0.00
    15   6     0.01  -0.01  -0.00    -0.00   0.00  -0.00    -0.08  -0.02  -0.02
    16   6     0.00  -0.01   0.00     0.00   0.04  -0.07     0.00  -0.00   0.00
    17   1     0.01  -0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    18   1     0.08   0.00   0.06    -0.18  -0.00  -0.15    -0.03  -0.00  -0.03
    19   1    -0.11  -0.07   0.05    -0.16  -0.11   0.09    -0.00  -0.00   0.00
    20   1    -0.03  -0.01  -0.01     0.03   0.00   0.01     0.87   0.16   0.34
    21   1     0.02   0.09   0.00    -0.00  -0.01   0.00     0.01   0.20   0.01
    22   1    -0.07   0.04   0.07     0.00  -0.00  -0.00     0.13  -0.09  -0.15
    23   1    -0.01   0.01  -0.04     0.17  -0.34   0.79    -0.01   0.01  -0.03
    24   1    -0.03   0.01   0.03    -0.16   0.09   0.13     0.01  -0.01  -0.01
    25   1     0.01   0.07   0.00    -0.02  -0.27  -0.03     0.00   0.01   0.00
    26   1    -0.18  -0.17   0.20    -0.01  -0.01   0.02    -0.01  -0.01   0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3130.9059              3132.5168              3208.6358
 Red. masses --      1.0594                 1.0991                 1.1156
 Frc consts  --      6.1187                 6.3542                 6.7668
 IR Inten    --     13.5339                35.1908                14.7400
 RamAct Fr= 1--    124.1483               134.7612                87.5998
  Dep-P Fr= 1--      0.0967                 0.4069                 0.7492
  Dep-U Fr= 1--      0.1763                 0.5784                 0.8566
 Alpha2 Fr= 1--      2.1914                 0.9738                 0.0012
 Beta2  Fr= 1--      3.6477                12.9917                12.5067
 AlphaG Fr= 1--      0.0634                 0.1142                 0.0243
 Gamma2 Fr= 1--      7.2864                -9.2805                 2.3788
 Delta2 Fr= 1--      2.7959                -6.9693                 4.5079
 Raman1 Fr= 1--     496.593                539.045                350.399
 ROA1   Fr= 1--     788.964              -1113.951                372.615
 CID1   Fr= 1--       1.589                 -2.067                  1.063
 Raman2 Fr= 1--      43.772                155.900                150.080
 ROA2   Fr= 1--     152.507               -166.978                 21.028
 CID2   Fr= 1--       3.484                 -1.071                  0.140
 Raman3 Fr= 1--      87.544                311.800                300.160
 ROA3   Fr= 1--     788.964              -1113.951                372.615
 CID3   Fr= 1--       9.012                 -3.573                  1.241
 RC180  Fr= 1--      -0.647                  0.157                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.04   0.05  -0.00     0.00  -0.00   0.00    -0.06  -0.05  -0.05
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.01  -0.00  -0.00    -0.08  -0.02  -0.03    -0.00  -0.00   0.00
     9   1     0.02  -0.00   0.03    -0.01   0.00  -0.01     0.01   0.00   0.01
    10   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   1    -0.00  -0.00   0.00     0.00   0.00  -0.01     0.00   0.00  -0.00
    12   1     0.64   0.03   0.34    -0.07  -0.00  -0.03     0.60   0.01   0.31
    13   1    -0.18  -0.57  -0.32     0.02   0.06   0.03     0.17   0.62   0.34
    14   1    -0.00  -0.02  -0.02     0.01   0.05   0.03     0.00   0.01   0.01
    15   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    16   6    -0.00   0.00  -0.00    -0.00   0.01  -0.02     0.00  -0.00  -0.00
    17   1     0.00  -0.00  -0.00     0.04  -0.03  -0.01    -0.00   0.00   0.00
    18   1     0.06   0.00   0.05     0.67   0.02   0.55     0.00   0.00   0.00
    19   1     0.03   0.02  -0.02     0.26   0.19  -0.15     0.00   0.00  -0.00
    20   1    -0.01  -0.00  -0.00     0.05   0.01   0.02    -0.00  -0.00   0.00
    21   1    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.00   0.00
    22   1    -0.00   0.00   0.00     0.01  -0.01  -0.01    -0.00   0.00   0.00
    23   1     0.01  -0.01   0.03     0.05  -0.11   0.26     0.00  -0.00   0.00
    24   1    -0.01   0.00   0.00    -0.04   0.02   0.03    -0.00   0.00   0.00
    25   1    -0.00  -0.01  -0.00    -0.01  -0.06  -0.01     0.00   0.00   0.00
    26   1     0.01   0.01  -0.01     0.01   0.01  -0.01    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Molecular mass:   136.12520 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   944.331911390.196371562.83469
           X            0.99966   0.02350   0.01099
           Y           -0.02339   0.99967  -0.01059
           Z           -0.01124   0.01033   0.99988
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.09172     0.06230     0.05542
 Rotational constants (GHZ):           1.91113     1.29819     1.15479
 Zero-point vibrational energy     619879.3 (Joules/Mol)
                                  148.15471 (Kcal/Mol)
 Warning -- explicit consideration of  14 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    153.82   239.68   274.86   303.57   332.68
          (Kelvin)            428.44   516.70   554.20   567.20   604.34
                              656.32   691.04   768.41   886.30   934.66
                             1056.77  1118.88  1150.33  1199.73  1243.57
                             1284.47  1308.85  1322.86  1354.07  1376.84
                             1396.23  1428.03  1456.48  1486.20  1534.58
                             1554.54  1587.02  1629.07  1685.62  1747.80
                             1763.37  1772.08  1791.24  1819.60  1854.42
                             1860.89  1895.74  1909.30  1942.24  1976.69
                             2022.22  2048.38  2096.03  2127.04  2136.81
                             2139.47  2161.93  2165.66  2180.44  2191.93
                             2462.21  4350.53  4355.45  4358.81  4370.92
                             4393.95  4408.85  4412.02  4422.79  4424.26
                             4431.79  4434.42  4470.07  4494.83  4504.68
                             4506.99  4616.51
 
 Zero-point correction=                           0.236100 (Hartree/Particle)
 Thermal correction to Energy=                    0.245687
 Thermal correction to Enthalpy=                  0.246631
 Thermal correction to Gibbs Free Energy=         0.202543
 Sum of electronic and zero-point Energies=           -390.609186
 Sum of electronic and thermal Energies=              -390.599599
 Sum of electronic and thermal Enthalpies=            -390.598655
 Sum of electronic and thermal Free Energies=         -390.642743
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  154.171             39.692             92.792
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.637
 Rotational               0.889              2.981             29.108
 Vibrational            152.394             33.730             23.047
 Vibration     1          0.606              1.944              3.324
 Vibration     2          0.624              1.884              2.474
 Vibration     3          0.634              1.852              2.218
 Vibration     4          0.643              1.824              2.035
 Vibration     5          0.653              1.793              1.869
 Vibration     6          0.691              1.678              1.429
 Vibration     7          0.734              1.556              1.126
 Vibration     8          0.754              1.502              1.019
 Vibration     9          0.761              1.483              0.984
 Vibration    10          0.783              1.427              0.892
 Vibration    11          0.814              1.347              0.777
 Vibration    12          0.837              1.294              0.709
 Vibration    13          0.889              1.175              0.578
 Vibration    14          0.976              0.998              0.423
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.686932D-93        -93.163087       -214.515934
 Total V=0       0.272318D+16         15.435076         35.540576
 Vib (Bot)       0.214610-106       -106.668351       -245.612954
 Vib (Bot)    1  0.191691D+01          0.282602          0.650715
 Vib (Bot)    2  0.121108D+01          0.083172          0.191510
 Vib (Bot)    3  0.104727D+01          0.020059          0.046187
 Vib (Bot)    4  0.940963D+00         -0.026427         -0.060851
 Vib (Bot)    5  0.851348D+00         -0.069893         -0.160934
 Vib (Bot)    6  0.639440D+00         -0.194200         -0.447163
 Vib (Bot)    7  0.510674D+00         -0.291857         -0.672024
 Vib (Bot)    8  0.467690D+00         -0.330042         -0.759950
 Vib (Bot)    9  0.454024D+00         -0.342921         -0.789605
 Vib (Bot)   10  0.418024D+00         -0.378799         -0.872216
 Vib (Bot)   11  0.374048D+00         -0.427073         -0.983372
 Vib (Bot)   12  0.348128D+00         -0.458261         -1.055184
 Vib (Bot)   13  0.298314D+00         -0.525326         -1.209608
 Vib (Bot)   14  0.238398D+00         -0.622697         -1.433813
 Vib (V=0)       0.850770D+02          1.929812          4.443556
 Vib (V=0)    1  0.248105D+01          0.394635          0.908681
 Vib (V=0)    2  0.181023D+01          0.257734          0.593455
 Vib (V=0)    3  0.166051D+01          0.220241          0.507123
 Vib (V=0)    4  0.156556D+01          0.194669          0.448242
 Vib (V=0)    5  0.148732D+01          0.172403          0.396973
 Vib (V=0)    6  0.131172D+01          0.117840          0.271336
 Vib (V=0)    7  0.121469D+01          0.084467          0.194492
 Vib (V=0)    8  0.118464D+01          0.073587          0.169440
 Vib (V=0)    9  0.117538D+01          0.070178          0.161591
 Vib (V=0)   10  0.115172D+01          0.061348          0.141260
 Vib (V=0)   11  0.112443D+01          0.050932          0.117275
 Vib (V=0)   12  0.110926D+01          0.045032          0.103690
 Vib (V=0)   13  0.108223D+01          0.034319          0.079023
 Vib (V=0)   14  0.105393D+01          0.022810          0.052522
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.624254D+08          7.795362         17.949484
 Rotational      0.512746D+06          5.709903         13.147536
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000025159    0.000017921   -0.000012380
      2        6          -0.000023889   -0.000003420    0.000008741
      3        6          -0.000037515   -0.000049987    0.000003120
      4        6          -0.000004542    0.000002315   -0.000002472
      5        6           0.000012908   -0.000005662   -0.000013853
      6        6          -0.000024859   -0.000004144    0.000036309
      7        6           0.000031491   -0.000012247    0.000008470
      8        6          -0.000013169    0.000046462    0.000004426
      9        1           0.000002231    0.000002004    0.000003128
     10        1          -0.000000709   -0.000001605   -0.000001808
     11        1          -0.000000548    0.000006995   -0.000004807
     12        1           0.000000252    0.000000639   -0.000000238
     13        1           0.000003325   -0.000001877   -0.000000345
     14        1           0.000001029   -0.000001614   -0.000001692
     15        6          -0.000009989    0.000001984   -0.000007870
     16        6           0.000018141    0.000005119    0.000012653
     17        1           0.000002319    0.000002369    0.000000515
     18        1           0.000004113   -0.000005354   -0.000003459
     19        1           0.000003146    0.000000172    0.000000214
     20        1           0.000015423    0.000002963   -0.000003497
     21        1           0.000002986    0.000000913   -0.000006207
     22        1           0.000001583   -0.000001355   -0.000000782
     23        1           0.000005142   -0.000005839   -0.000003317
     24        1          -0.000004325    0.000001776   -0.000003870
     25        1          -0.000004694    0.000001216   -0.000004207
     26        1          -0.000005010    0.000000254   -0.000006772
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000049987 RMS     0.000012927
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.129508D+03 -0.820693D+01  0.454774D-01
      2  -0.820693D+01  0.121303D+03  0.106242D+01
      3   0.454774D-01  0.106242D+01  0.105726D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.390850D+01 -0.418517D+01  0.323645D+01
      2   0.702314D+01  0.214860D+01 -0.700307D+01
      3   0.108299D+02 -0.103439D+02 -0.614882D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.141250D+02 -0.315867D+02  0.298923D+01
      2   0.187292D+02 -0.881706D+01 -0.682755D+01
      3  -0.328542D+02  0.404038D+02  0.383832D+01
      4  -0.766446D+02  0.608716D+02  0.134739D+02
      5   0.434810D+01  0.196186D+02 -0.197651D+02
      6   0.101382D+02 -0.375033D+01 -0.165181D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.141917D+01 -0.202646D+01 -0.165257D+01 -0.939197D+00  0.142413D+01
      2  -0.202646D+01 -0.138992D+01  0.112258D+01  0.142413D+01 -0.368901D+01
      3  -0.165257D+01  0.112258D+01 -0.253959D+01  0.188144D+01  0.122985D+01
                 6             7             8             9            10 
      1   0.188144D+01 -0.331386D+01  0.205225D+01 -0.338256D+01 -0.266900D-01
      2   0.122985D+01  0.205225D+01  0.260230D+01 -0.102436D+01  0.240439D+01
      3   0.140051D-01 -0.338256D+01 -0.102436D+01 -0.598202D+00  0.175725D+01
                11            12            13            14            15 
      1   0.240439D+01  0.175725D+01  0.215575D+01 -0.313068D+01 -0.933173D-01
      2  -0.327844D+01 -0.920062D-02 -0.313068D+01 -0.629538D+01  0.678746D+00
      3  -0.920062D-02  0.192985D+01 -0.933173D-01  0.678746D+00  0.101831D+01
                16            17            18            19            20 
      1   0.241699D+01  0.106517D+00  0.190724D+01 -0.136653D+02  0.101924D+02
      2   0.106517D+00  0.155207D+01 -0.150690D+00  0.101924D+02 -0.870129D+01
      3   0.190724D+01 -0.150690D+00 -0.544796D+01  0.350171D+01 -0.483415D+00
                21            22            23            24            25 
      1   0.350171D+01  0.992226D+01 -0.891593D+01 -0.198429D+01  0.284925D+00
      2  -0.483415D+00 -0.891593D+01  0.115344D+02 -0.215134D+01  0.322781D+00
      3  -0.202759D+01 -0.198429D+01 -0.215134D+01  0.286735D+01 -0.870674D+00
                26            27            28            29            30 
      1   0.322781D+00 -0.870674D+00  0.806131D+01 -0.741155D+01 -0.598319D+01
      2  -0.175751D+01  0.988623D+00 -0.741155D+01  0.830099D+01  0.242504D+01
      3   0.988623D+00  0.244413D-01 -0.598319D+01  0.242504D+01  0.296260D+01
                31            32            33            34            35 
      1  -0.103680D+02  0.942171D+01  0.953862D+00 -0.675710D+01  0.137432D+01
      2   0.942171D+01 -0.100704D+02  0.395973D+01  0.137432D+01  0.501939D+01
      3   0.953862D+00  0.395973D+01 -0.291535D+01  0.381665D+01 -0.346661D+01
                36            37            38            39            40 
      1   0.381665D+01  0.117239D+02 -0.584007D+01 -0.394536D+01 -0.230015D+01
      2  -0.346661D+01 -0.584007D+01  0.371054D+01 -0.601559D+00  0.278391D+01
      3  -0.103525D+01 -0.394536D+01 -0.601559D+00  0.254378D+01 -0.836450D+00
                41            42            43            44            45 
      1   0.278391D+01 -0.836450D+00 -0.706188D+01  0.441469D+00  0.300083D+01
      2   0.762217D+00  0.547288D+01  0.441469D+00  0.490523D+01  0.112001D+01
      3   0.547288D+01  0.732012D+00  0.300083D+01  0.112001D+01 -0.134259D+01
                46            47            48            49            50 
      1  -0.414692D+01  0.322237D+01  0.595849D+01  0.417790D+01 -0.474952D+01
      2   0.322237D+01 -0.281407D+01  0.102015D+00 -0.474952D+01 -0.708248D+01
      3   0.595849D+01  0.102015D+00 -0.232994D+01 -0.239278D+00 -0.445539D+00
                51            52            53            54            55 
      1  -0.239278D+00  0.111341D+02 -0.195554D+01 -0.268023D+01  0.170912D+01
      2  -0.445539D+00 -0.195554D+01  0.104112D+01  0.240726D+01 -0.330070D+01
      3   0.188786D+01 -0.268023D+01  0.240726D+01 -0.102233D+01 -0.246971D+01
                56            57            58            59            60 
      1  -0.330070D+01 -0.246971D+01 -0.324876D+01  0.585816D+01  0.342955D-01
      2   0.547558D+01 -0.156207D+00  0.585816D+01  0.386782D+01 -0.232100D+01
      3  -0.156207D+00 -0.143579D+01  0.342955D-01 -0.232100D+01  0.173366D+01
                61            62            63            64            65 
      1  -0.245127D+01 -0.641495D+00 -0.161440D+01 -0.733054D-01 -0.973480D+00
      2  -0.641495D+00 -0.285578D+01  0.429881D+00 -0.973480D+00 -0.387857D+01
      3  -0.161440D+01  0.429881D+00  0.488863D+01  0.407235D+01  0.263887D+01
                66            67            68            69            70 
      1   0.407235D+01  0.740508D+00 -0.427905D+01  0.315864D+01  0.362784D+01
      2   0.263887D+01 -0.427905D+01  0.398567D+01 -0.124255D+01  0.179498D+01
      3   0.174666D+01  0.315864D+01 -0.124255D+01 -0.269937D+01  0.137525D+01
                71            72            73            74            75 
      1   0.179498D+01  0.137525D+01  0.432715D+01  0.580709D+00  0.251662D+01
      2  -0.386384D+00 -0.222653D+01  0.580709D+00  0.126573D+01  0.437054D+00
      3  -0.222653D+01 -0.157701D+01  0.251662D+01  0.437054D+00  0.238576D+01
                76            77            78            79            80 
      1  -0.730980D+00  0.681404D+00 -0.536643D+00  0.379687D+01  0.249316D+00
      2   0.681404D+00 -0.645347D-01  0.526134D+00  0.249316D+00  0.648661D+00
      3  -0.536643D+00  0.526134D+00 -0.290866D+00  0.316204D+01  0.829927D+00
                81            82            83            84            85 
      1   0.316204D+01  0.904610D+00  0.142842D+01 -0.938374D-01  0.149862D+01
      2   0.829927D+00  0.142842D+01  0.182308D+01  0.206985D+00  0.202169D+01
      3   0.418512D+01 -0.938374D-01  0.206985D+00 -0.784421D-01  0.251974D+00
                86            87            88            89            90 
      1   0.202169D+01  0.251974D+00 -0.644193D+00 -0.206477D+00 -0.275558D-01
      2   0.116991D+02  0.816808D+00 -0.206477D+00 -0.134235D+01  0.113670D+01
      3   0.816808D+00  0.100783D+01 -0.275558D-01  0.113670D+01  0.442995D+00
                91            92            93            94            95 
      1  -0.756469D+00 -0.105423D+00  0.923863D+00 -0.376321D+00  0.433236D-01
      2  -0.105423D+00  0.692811D-01 -0.294332D+00  0.433236D-01  0.732633D+00
      3   0.923863D+00 -0.294332D+00 -0.123044D+01 -0.118334D-02  0.870983D+00
                96            97            98            99           100 
      1  -0.118334D-02  0.128871D+01 -0.576210D-01 -0.904299D+00  0.908498D+01
      2   0.870983D+00 -0.576210D-01  0.155632D+01  0.179713D+01 -0.242951D+01
      3  -0.171577D+00 -0.904299D+00  0.179713D+01  0.841951D+01  0.293767D+01
               101           102           103           104           105 
      1  -0.242951D+01  0.293767D+01 -0.692834D+00  0.143553D+01  0.508551D+00
      2   0.179681D+01 -0.848245D+00  0.143553D+01 -0.156099D+01 -0.289105D+00
      3  -0.848245D+00  0.149620D+01  0.508551D+00 -0.289105D+00  0.435015D-01
               106           107           108           109           110 
      1   0.531687D+01 -0.831421D+00  0.130436D+01  0.106373D+01 -0.113738D+01
      2  -0.831421D+00 -0.461944D-01  0.442027D-01 -0.113738D+01 -0.790861D+00
      3   0.130436D+01  0.442027D-01  0.101101D+01  0.194901D+00 -0.110798D+01
               111           112           113           114           115 
      1   0.194901D+00 -0.154075D+01  0.142162D+01  0.425233D+00  0.680215D-01
      2  -0.110798D+01  0.142162D+01 -0.810148D+01 -0.303908D+01 -0.138815D+00
      3  -0.589758D+00  0.425233D+00 -0.303908D+01 -0.185420D+01 -0.298447D+00
               116           117           118           119           120 
      1  -0.138815D+00 -0.298447D+00 -0.518052D+00 -0.954133D+00 -0.486129D+00
      2  -0.417594D+01 -0.146324D+01 -0.954133D+00 -0.783920D+00 -0.381901D+00
      3  -0.146324D+01 -0.118054D+01 -0.486129D+00 -0.381901D+00 -0.695616D+00
               121           122           123           124           125 
      1  -0.166202D+01 -0.547901D+00 -0.498647D+00  0.856327D-02 -0.473580D+00
      2  -0.547901D+00 -0.534479D+01 -0.329263D+01 -0.473580D+00 -0.258904D+01
      3  -0.498647D+00 -0.329263D+01 -0.288095D+01 -0.579297D+00 -0.261709D+01
               126           127           128           129           130 
      1  -0.579297D+00 -0.242347D+01 -0.154015D+01 -0.460873D+01 -0.190923D+01
      2  -0.261709D+01 -0.154015D+01  0.129466D+01  0.206435D+00  0.208403D+01
      3  -0.352753D+01 -0.460873D+01  0.206435D+00  0.220844D+01  0.658598D+00
               131           132           133           134           135 
      1   0.208403D+01  0.658598D+00 -0.462610D+01  0.515974D+00  0.221446D+01
      2   0.665033D+01 -0.711733D+00  0.515974D+00  0.278174D+00 -0.272704D+01
      3  -0.711733D+00 -0.300436D+01  0.221446D+01 -0.272704D+01  0.287945D+00
               136           137           138           139           140 
      1  -0.527586D+00 -0.250262D+01 -0.420630D+01 -0.359772D+01  0.313729D+01
      2  -0.250262D+01  0.119419D+01  0.140247D+00  0.313729D+01  0.658180D+01
      3  -0.420630D+01  0.140247D+00  0.201573D+01  0.351758D+00  0.944083D+00
               141           142           143           144           145 
      1   0.351758D+00 -0.588195D+01  0.905644D+00  0.309281D+01 -0.606876D+01
      2   0.944083D+00  0.905644D+00  0.368730D+00 -0.259448D+01  0.419510D+01
      3  -0.289354D+01  0.309281D+01 -0.259448D+01  0.272999D+01  0.966760D+00
               146           147           148           149           150 
      1   0.419510D+01  0.966760D+00  0.322330D+01 -0.368783D+01 -0.231655D+00
      2  -0.448414D+01 -0.539671D+00 -0.368783D+01  0.512977D+01  0.909657D+00
      3  -0.539671D+00 -0.828270D+00 -0.231655D+00  0.909657D+00  0.749937D+00
               151           152           153           154           155 
      1   0.104388D+01 -0.368239D+00 -0.879380D+00 -0.403234D+01  0.104521D+01
      2  -0.368239D+00  0.110354D+01  0.118857D+01  0.104521D+01 -0.801802D+00
      3  -0.879380D+00  0.118857D+01  0.337491D+00 -0.345009D+01  0.481818D+00
               156           157           158           159           160 
      1  -0.345009D+01  0.184944D-01 -0.287218D+00 -0.104793D+00 -0.305706D+01
      2   0.481818D+00 -0.287218D+00  0.222967D+00 -0.859450D+00  0.414811D+00
      3  -0.381082D+01 -0.104793D+00 -0.859450D+00  0.528320D+00 -0.305731D+01
               161           162           163           164           165 
      1   0.414811D+00 -0.305731D+01  0.285718D+01  0.189282D+01 -0.241512D+01
      2  -0.112103D+01  0.126387D+01  0.189282D+01  0.271543D+01 -0.208052D+01
      3   0.126387D+01 -0.539720D+01 -0.241512D+01 -0.208052D+01  0.292604D+01
               166           167           168           169           170 
      1   0.116747D+01  0.190862D+01 -0.123702D+01 -0.134693D+01 -0.109127D+01
      2   0.190862D+01  0.288331D+01 -0.208480D+01 -0.109127D+01 -0.152343D+01
      3  -0.123702D+01 -0.208480D+01  0.246158D+01  0.128281D+01  0.214219D+01
               171           172           173           174           175 
      1   0.128281D+01  0.506715D+01  0.597517D+00  0.176756D+01  0.754085D+00
      2   0.214219D+01  0.597517D+00  0.866345D+00 -0.260574D+00  0.408328D+00
      3  -0.335325D+01  0.176756D+01 -0.260574D+00  0.261211D+01 -0.912492D-01
               176           177           178           179           180 
      1   0.408328D+00 -0.912492D-01  0.180190D+01 -0.206169D-01  0.131061D+01
      2  -0.414942D+00  0.341036D+00 -0.206169D-01  0.351791D+00  0.257385D+00
      3   0.341036D+00  0.609824D+00  0.131061D+01  0.257385D+00  0.210001D+01
               181           182           183           184           185 
      1  -0.452192D+00 -0.956844D+00  0.723653D+00 -0.141120D+01 -0.175105D+01
      2  -0.956844D+00 -0.975980D+00  0.175008D+00 -0.175105D+01 -0.852793D+01
      3   0.723653D+00  0.175008D+00 -0.591011D+00  0.413090D+00  0.214120D+01
               186           187           188           189           190 
      1   0.413090D+00  0.239331D+00 -0.118489D+00 -0.373952D+00 -0.368875D+01
      2   0.214120D+01 -0.118489D+00 -0.388718D-01 -0.667357D+00  0.504100D+00
      3  -0.181473D+01 -0.373952D+00 -0.667357D+00  0.336622D+00  0.340095D+01
               191           192           193           194           195 
      1   0.504100D+00  0.340095D+01  0.152854D+01 -0.933329D+00 -0.120618D+01
      2  -0.109052D+01 -0.210516D+00 -0.933329D+00  0.268930D+00  0.981663D+00
      3  -0.210516D+00 -0.409227D+01 -0.120618D+01  0.981663D+00  0.231247D+01
               196           197           198           199           200 
      1   0.259722D+01 -0.251930D+00 -0.308199D+01 -0.132513D+01  0.803133D+00
      2  -0.251930D+00  0.690914D+00  0.755398D+00  0.803133D+00 -0.349697D+00
      3  -0.308199D+01  0.755398D+00  0.548771D+01 -0.116058D+01  0.300328D+00
               201           202           203           204           205 
      1  -0.116058D+01  0.177135D+01 -0.614357D+00  0.584007D+00 -0.257967D+01
      2   0.300328D+00 -0.614357D+00  0.351810D+00 -0.108436D+01  0.672683D-01
      3  -0.159310D+01  0.584007D+00 -0.108436D+01  0.171633D+01 -0.265174D+01
               206           207           208           209           210 
      1   0.672683D-01 -0.265174D+01 -0.714050D+01  0.996524D+00  0.262024D+01
      2  -0.133633D+01  0.132774D+01  0.996524D+00 -0.936101D+00 -0.473150D+00
      3   0.132774D+01 -0.561878D+01  0.262024D+01 -0.473150D+00 -0.183298D+01
               211           212           213           214           215 
      1   0.310137D+01 -0.165849D+01 -0.832448D+00  0.562850D+01 -0.593561D+00
      2  -0.165849D+01  0.319495D+00  0.572497D+00 -0.593561D+00  0.939798D+00
      3  -0.832448D+00  0.572497D+00  0.107773D+01 -0.273999D+01  0.709004D+00
               216           217           218           219           220 
      1  -0.273999D+01 -0.124523D+01 -0.100482D+01  0.208189D+00 -0.318026D+01
      2   0.709004D+00 -0.100482D+01 -0.907512D+00 -0.765123D-01 -0.358448D+01
      3   0.223175D+01  0.208189D+00 -0.765123D-01 -0.231387D+00 -0.504448D+00
               221           222           223           224           225 
      1  -0.358448D+01 -0.504448D+00  0.382523D+00 -0.229675D+00 -0.861725D+00
      2  -0.812486D+01 -0.745192D+00 -0.229675D+00 -0.447593D+00 -0.722682D+00
      3  -0.745192D+00 -0.102659D+01 -0.861725D+00 -0.722682D+00 -0.462434D+00
               226           227           228           229           230 
      1   0.271068D+01  0.232048D+01 -0.107859D+01  0.189778D+01  0.151008D+01
      2   0.232048D+01  0.267018D+01 -0.712606D+00  0.151008D+01  0.428662D+01
      3  -0.107859D+01 -0.712606D+00  0.107982D+01 -0.823849D+00 -0.117848D+01
               231           232           233           234 
      1  -0.823849D+00 -0.191625D+01 -0.126660D+01  0.153650D+01
      2  -0.117848D+01 -0.126660D+01 -0.343757D+01  0.126216D+01
      3   0.790812D+00  0.153650D+01  0.126216D+01 -0.192013D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.181245D+01 -0.168272D+01  0.298178D+01  0.714819D+00 -0.328408D+01
      2  -0.665106D+01  0.747608D+01 -0.436058D+01  0.620751D+01  0.496414D+01
      3   0.884431D+01 -0.844807D+01 -0.723159D+01 -0.273893D+01  0.504069D+01
                 6             7             8             9            10 
      1  -0.116627D+01  0.330618D+01  0.944020D+01  0.254827D+01 -0.194652D+01
      2  -0.319609D+00 -0.922608D+01 -0.599148D+01 -0.109530D+00  0.217081D+01
      3  -0.176438D+01 -0.992024D+01 -0.273363D+01 -0.267711D+01 -0.765061D+00
                11            12            13            14            15 
      1  -0.307190D+01 -0.429430D+01 -0.290482D+01 -0.105631D+02 -0.393106D+01
      2  -0.242260D+01  0.450940D-01 -0.328867D+01  0.228753D+01  0.588156D+00
      3   0.772825D+01  0.490725D+01  0.120110D+02 -0.491617D+01 -0.228956D+00
                16            17            18            19            20 
      1  -0.520796D+01  0.522127D+01  0.144080D+02 -0.211226D+01  0.243717D+01
      2  -0.502612D+01  0.672532D+00 -0.506515D+01  0.221734D+01  0.660857D+01
      3   0.660202D+01  0.917390D-01  0.325161D+01  0.356254D+01 -0.132476D+01
                21            22            23            24            25 
      1  -0.655098D+01 -0.132128D+01 -0.950215D+01  0.744838D+01 -0.863736D+01
      2  -0.539287D+01  0.251026D+01 -0.734583D+01  0.824015D+01 -0.137124D+02
      3  -0.487179D+01  0.117279D+02 -0.180476D+02  0.792284D+01  0.797407D+00
                26            27            28            29            30 
      1   0.139993D+02  0.221532D+01 -0.852715D+01 -0.695210D+00  0.592275D+01
      2   0.772082D+01 -0.229803D+01 -0.815309D+01  0.373916D+01  0.753895D+01
      3   0.316493D+01 -0.260037D+00  0.827970D+01 -0.140516D+02  0.431244D+01
                31            32            33            34            35 
      1  -0.351371D+01  0.115535D+02 -0.903482D+01  0.223299D+01 -0.788642D+00
      2  -0.224157D+01  0.152405D+02 -0.867942D+01 -0.645088D+00 -0.492434D+01
      3  -0.134749D+01  0.641949D+01 -0.122077D+02  0.907818D+01 -0.166520D+02
                36            37            38            39            40 
      1   0.288751D+01 -0.102325D+01 -0.171616D+01  0.276786D+01 -0.451114D+01
      2  -0.243783D+01  0.105324D+02 -0.731442D+01 -0.188933D+01 -0.300913D+01
      3   0.234258D+01 -0.185389D+01 -0.624163D+00  0.169546D+01  0.839175D+01
                41            42            43            44            45 
      1   0.779654D+01 -0.911278D+01  0.634985D+01 -0.433497D+01 -0.248520D+01
      2   0.356796D+01 -0.176514D+01 -0.156943D+02  0.470789D+01  0.362149D+01
      3  -0.429985D+01 -0.192277D+01  0.264341D+01  0.643165D+00 -0.228485D+01
                46            47            48            49            50 
      1   0.383464D+01 -0.393371D+00 -0.158637D+01 -0.176817D+01 -0.384464D+01
      2  -0.132655D+02  0.960985D+00  0.879477D+01  0.288923D+01 -0.898335D+00
      3   0.391168D+01 -0.101390D+02 -0.175712D+01 -0.118247D+01 -0.132797D+02
                51            52            53            54            55 
      1  -0.153493D+01 -0.358750D+01  0.773382D+01  0.710597D+00  0.362027D+01
      2  -0.356487D+01  0.334537D+01 -0.741514D+01  0.413996D+01  0.258181D+01
      3  -0.121915D+01 -0.504106D+01  0.642481D+00  0.747124D+01 -0.299314D+01
                56            57            58            59            60 
      1   0.164408D+01  0.514276D+01  0.232936D+01  0.428748D+01 -0.489693D+01
      2   0.239316D+01  0.407336D+01  0.149406D+01  0.193787D+01 -0.128536D+01
      3  -0.445797D+01 -0.414236D+01  0.307339D+01  0.131614D+02 -0.208100D+01
                61            62            63            64            65 
      1   0.340076D+01  0.195303D+01 -0.112579D+02 -0.155995D+01  0.387120D+01
      2  -0.136836D+01 -0.239870D+01 -0.572669D+01 -0.258879D+01 -0.587247D+01
      3  -0.536414D+01 -0.372035D+01 -0.347292D+01  0.397875D+00 -0.724789D+01
                66            67            68            69            70 
      1  -0.102208D+02  0.691762D+01 -0.848091D+01  0.421811D+01 -0.743945D+01
      2   0.116498D+02 -0.328234D+01 -0.741013D+01  0.904074D+01  0.417959D+01
      3   0.758478D+01 -0.156590D+01 -0.140760D+01  0.341574D+01  0.517880D+01
                71            72            73            74            75 
      1   0.743638D+01  0.903415D+01 -0.286728D+01  0.653835D+00 -0.286222D+01
      2   0.695512D+01  0.658428D+01  0.247057D+01  0.136792D+01  0.607028D+01
      3   0.173419D+01  0.165550D+01  0.369256D+01 -0.381463D+01  0.225064D+01
                76            77            78            79            80 
      1   0.241845D+00  0.116589D-01 -0.164295D+00 -0.303969D+01  0.124457D+01
      2  -0.516927D+00  0.481170D+00 -0.832393D+00  0.279204D+01  0.202219D+01
      3  -0.289784D+00  0.218317D+01 -0.111809D+01  0.450264D+01 -0.251266D+01
                81            82            83            84            85 
      1  -0.440838D+01  0.160929D+01  0.181190D+01  0.542570D-01  0.115596D+01
      2   0.883022D+01 -0.963054D+00 -0.107505D+01  0.144796D+01 -0.166556D+01
      3   0.237130D+01  0.199023D+01  0.180761D+00 -0.598191D+00  0.579684D+01
                86            87            88            89            90 
      1   0.935288D+01 -0.484952D+01  0.146691D+00 -0.221413D+01  0.216295D+00
      2  -0.138384D+01  0.827039D+00 -0.666064D-01  0.478445D+00  0.135899D+00
      3  -0.279013D+01  0.348687D+00 -0.189202D+01  0.602423D+00 -0.577020D+00
                91            92            93            94            95 
      1  -0.230326D+01 -0.377566D+00  0.275700D+01 -0.529207D+00 -0.128949D+01
      2   0.136178D+01  0.392791D+00 -0.621861D+00  0.101885D+01  0.467035D+00
      3  -0.218125D+01 -0.212501D+01  0.172537D+01 -0.656119D+00  0.864990D+00
                96            97            98            99           100 
      1   0.122951D+01  0.235798D+01  0.163836D+01 -0.175190D+02  0.743981D+01
      2  -0.395856D+00 -0.539147D+01  0.840643D+00  0.540496D+01  0.104228D+02
      3  -0.522092D+00  0.364507D+01 -0.650398D+00 -0.217232D+01 -0.104618D+02
               101           102           103           104           105 
      1  -0.106895D+01  0.343926D+01  0.373655D+00  0.241112D+00 -0.110639D+00
      2  -0.484330D+01  0.832657D+01  0.134696D+01 -0.142237D+01  0.539698D+00
      3  -0.327926D+01 -0.356610D+01 -0.986169D+00  0.100872D+01 -0.147434D-01
               106           107           108           109           110 
      1   0.310623D+01  0.887001D+00  0.144387D+01  0.207631D+01 -0.197449D+01
      2   0.200668D+01  0.233871D+01  0.493702D+01 -0.154160D+00 -0.279852D+01
      3  -0.883716D+01  0.107539D+01 -0.186147D+01  0.242820D+01  0.328291D+01
               111           112           113           114           115 
      1  -0.184075D+01  0.149249D+01 -0.266831D+01 -0.554290D+01 -0.221307D+01
      2  -0.844700D+00 -0.136205D+01 -0.706187D+01 -0.386175D+01 -0.992088D+00
      3   0.251281D+01  0.218278D+01  0.187092D+02  0.762648D+01  0.112183D+01
               116           117           118           119           120 
      1   0.156688D+01 -0.322254D+01  0.723350D+00  0.561458D+00 -0.126746D+00
      2  -0.463519D+01 -0.216826D+01 -0.540764D+00 -0.593581D+00  0.852706D+00
      3   0.121697D+02  0.385622D+01  0.526155D-01 -0.831626D+00 -0.830681D-01
               121           122           123           124           125 
      1  -0.279688D+00  0.577827D+01 -0.129789D+01 -0.584776D-02  0.338410D+01
      2  -0.299918D+01 -0.269367D+00  0.242342D+00 -0.253784D+01 -0.537663D+00
      3   0.490933D+01  0.509950D-01  0.187579D+00  0.133544D+01  0.136722D+00
               126           127           128           129           130 
      1  -0.878585D+00 -0.872143D+01  0.238544D+01  0.283347D+01  0.574183D+01
      2  -0.394596D+00  0.128164D+02  0.132772D+01  0.958330D+01  0.221817D+01
      3   0.261621D+00  0.204728D+01  0.138199D+01  0.648996D+01  0.590943D+01
               131           132           133           134           135 
      1   0.143690D+02 -0.866773D+01  0.321761D+01 -0.426960D+00 -0.609581D+01
      2  -0.228293D+01  0.250700D+01  0.515054D+01  0.302069D+01 -0.455197D+01
      3   0.685721D+01 -0.102703D+01  0.650840D+01  0.153729D+00 -0.587454D+01
               136           137           138           139           140 
      1  -0.197259D+01  0.916898D-01  0.239825D+01 -0.106213D+01 -0.139694D+01
      2   0.109890D+02 -0.232426D+01 -0.725474D+01 -0.315135D+01 -0.206848D+01
      3  -0.843284D+01  0.484213D+01  0.367909D+01  0.143009D+02  0.195090D+02
               141           142           143           144           145 
      1  -0.521220D+01  0.380962D+01 -0.952725D+00  0.395496D+01 -0.163813D+01
      2   0.932098D+01 -0.176949D+02  0.899919D+01 -0.105032D+02  0.282076D-01
      3   0.333034D+01  0.389797D+01  0.285144D+01 -0.116698D+02 -0.735813D+01
               146           147           148           149           150 
      1   0.230944D+00  0.314460D+01  0.430000D+00 -0.137631D+01 -0.410418D+01
      2   0.525128D+00  0.347308D+01 -0.453745D+00 -0.530625D+00 -0.234413D+01
      3  -0.103923D+01  0.922809D+00  0.467491D+01  0.182764D+00  0.191284D+00
               151           152           153           154           155 
      1   0.163187D+01 -0.614731D+00 -0.568775D+00  0.230440D+01  0.244974D+01
      2  -0.322214D+00 -0.115105D+01 -0.503931D+00 -0.783011D+01  0.155537D+01
      3   0.162056D+01  0.107371D+01 -0.196102D+00 -0.484817D+01 -0.119427D+01
               156           157           158           159           160 
      1   0.462532D+01  0.691137D+00  0.954760D+00 -0.147566D+00  0.356937D+01
      2  -0.344952D+01  0.736670D+00  0.244224D+00 -0.154206D+01 -0.750025D+01
      3  -0.384148D+01  0.148961D+01  0.448813D+00 -0.959272D+00 -0.372389D+01
               161           162           163           164           165 
      1   0.277492D+01  0.321409D+01 -0.144454D+01 -0.472934D+01 -0.480642D+00
      2  -0.795486D+00 -0.163498D+01  0.912867D+01  0.466164D+01 -0.371584D+01
      3  -0.159094D+01 -0.269275D+01  0.561065D+01  0.147549D+01 -0.329403D+01
               166           167           168           169           170 
      1  -0.220089D+01 -0.385042D+01 -0.149061D+01  0.437392D+00  0.242723D+01
      2   0.449334D+01  0.481690D+01 -0.306506D+01 -0.482806D+01 -0.320841D+01
      3   0.451598D+01  0.198756D+01 -0.231837D+01 -0.286636D+01 -0.571773D+00
               171           172           173           174           175 
      1  -0.551224D-02  0.403936D+01  0.331891D+01  0.209142D+01  0.200115D+01
      2   0.288682D+01 -0.173590D+02 -0.168063D+01 -0.366834D+01 -0.202242D+01
      3   0.227557D+01 -0.704159D+01 -0.218449D+01 -0.249550D+01  0.462793D+00
               176           177           178           179           180 
      1   0.529711D+00  0.306178D+00  0.203738D+01  0.210846D+01  0.243509D+01
      2  -0.158694D+01 -0.499660D+00 -0.693793D+01 -0.536410D+00 -0.359596D+01
      3  -0.117038D+01  0.876408D-01 -0.249694D+01 -0.748792D+00 -0.144825D+01
               181           182           183           184           185 
      1  -0.100110D+01 -0.181824D+01 -0.630146D+00 -0.305311D+01 -0.157842D+02
      2  -0.629151D+00  0.982736D+00  0.554742D+00  0.281090D+01 -0.297403D+00
      3  -0.102401D+01 -0.101959D+01 -0.428640D-02  0.314299D+01 -0.883121D+01
               186           187           188           189           190 
      1  -0.145682D+01 -0.455278D+00  0.560655D+00 -0.115541D+01  0.504732D+01
      2   0.198954D+01 -0.943404D+00  0.263092D+00  0.436760D+00  0.406805D+01
      3   0.226948D+01 -0.211356D+00 -0.322640D+00 -0.159123D+00  0.365734D+01
               191           192           193           194           195 
      1  -0.398379D+01 -0.488637D+01 -0.291071D+01  0.223264D+01  0.322262D+01
      2  -0.108109D+01  0.668554D+00 -0.236135D+01  0.110646D+00 -0.122086D+01
      3  -0.356709D+01 -0.338626D+01 -0.151904D+01  0.142918D+01  0.206143D+01
               196           197           198           199           200 
      1  -0.405451D+01  0.456552D+01  0.712451D+01 -0.166441D+01  0.744657D+00
      2  -0.493034D+01 -0.182118D-01 -0.941786D+00  0.279564D+01  0.544298D-01
      3  -0.289792D+01  0.227198D+01  0.370141D+01  0.299214D+01 -0.187834D+01
               201           202           203           204           205 
      1  -0.100914D+01  0.351758D+00 -0.160688D+01  0.131249D+01 -0.130553D+01
      2   0.482592D+01  0.689173D+00  0.340475D+01 -0.631600D+01  0.295745D+01
      3   0.149284D+01 -0.943193D+00  0.213661D+01 -0.383128D+01  0.115868D+01
               206           207           208           209           210 
      1   0.451222D+01 -0.504759D+01  0.174332D+01 -0.873335D+00 -0.898560D+00
      2  -0.528510D+01  0.174278D+02 -0.931643D+01  0.170196D+01  0.963619D+01
      3  -0.572203D+01  0.631320D+01  0.793763D+01 -0.637728D+01 -0.299907D+01
               211           212           213           214           215 
      1  -0.312593D+00  0.837778D+00 -0.301369D+00 -0.174635D+01  0.164460D+01
      2   0.295394D+01 -0.222271D+01 -0.439702D+01  0.775854D+01 -0.265575D+01
      3  -0.468129D+01  0.227239D+01  0.210706D+01 -0.425619D+01  0.459532D+01
               216           217           218           219           220 
      1   0.933883D+00  0.531110D+00  0.366383D+00 -0.488829D+00  0.368086D+00
      2  -0.872111D+01 -0.711616D+00 -0.165575D-01  0.192848D+01  0.265650D+00
      3   0.397701D+01 -0.261173D+01 -0.368417D+01 -0.562879D+00 -0.445835D+01
               221           222           223           224           225 
      1   0.263265D+01 -0.382530D+01 -0.522152D+00  0.493421D+00 -0.387287D+00
      2   0.104994D+01  0.385703D+01  0.165836D+01  0.138019D+01  0.107798D+01
      3  -0.233107D+02 -0.171211D+01 -0.959540D+00 -0.158213D+01 -0.130759D+01
               226           227           228           229           230 
      1   0.200024D+01  0.181766D+01 -0.228289D+01  0.153327D+01  0.253583D+01
      2  -0.339636D+01 -0.319152D+01  0.459514D+01 -0.328044D+01 -0.379184D+01
      3  -0.172495D+01 -0.226831D+01  0.722303D+00  0.255069D+01 -0.831034D+01
               231           232           233           234 
      1  -0.375664D+01 -0.149740D+01 -0.359450D+01  0.244341D+01
      2   0.293650D+01  0.319734D+01  0.425491D+01 -0.684945D+01
      3   0.139765D+01  0.376414D+00  0.560045D+01 -0.823415D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.567245D+01 -0.103596D+02 -0.667207D+01 -0.293931D+01  0.339487D+00
      2   0.558202D+01  0.670710D+01  0.897077D+01  0.116234D+01  0.120960D+01
      3   0.904264D-01  0.365253D+01 -0.229870D+01  0.177697D+01 -0.154908D+01
      4  -0.696463D+01 -0.176954D+02  0.276386D+01 -0.282393D+01 -0.213411D+02
      5  -0.891361D+01  0.419534D+00 -0.165070D+02  0.684577D+01  0.479368D+01
      6  -0.196251D+01  0.823148D+01 -0.203161D+01  0.489184D+01  0.411422D+01
                 6             7             8             9            10 
      1   0.790964D+01 -0.869328D+01  0.812597D+01 -0.132915D+02 -0.692519D+01
      2  -0.244171D+01  0.121904D+02  0.353444D-01  0.112714D+02  0.611654D+01
      3  -0.546793D+01 -0.349712D+01 -0.816131D+01  0.202008D+01  0.808649D+00
      4   0.793659D+01  0.804430D+01  0.181614D+02 -0.113906D+02 -0.283635D+00
      5   0.151688D+01 -0.208013D+02 -0.526423D+01 -0.841188D+01  0.239214D+01
      6  -0.226444D+01 -0.565054D+01 -0.652386D+01 -0.290834D+00  0.821142D+01
                11            12            13            14            15 
      1   0.939599D+01 -0.135581D+01  0.129255D+02  0.205891D+02 -0.283452D+01
      2  -0.133522D+02 -0.488703D+00 -0.153414D+02 -0.429376D+02  0.927429D+00
      3   0.395625D+01  0.184451D+01  0.241590D+01  0.223485D+02  0.190709D+01
      4  -0.220060D+01  0.256008D+01  0.225394D+01 -0.134978D+02 -0.532347D+00
      5   0.166073D+01  0.136066D+01  0.137951D+01 -0.345128D+01  0.832028D+00
      6  -0.169957D+01  0.725917D+01 -0.334976D+01 -0.272854D+01  0.454649D+01
                16            17            18            19            20 
      1  -0.137516D+01 -0.463635D+01  0.145899D+02 -0.201129D+02  0.102744D+02
      2  -0.344471D+01  0.116861D+02  0.831057D+01 -0.585828D+01  0.124745D+02
      3   0.481987D+01 -0.704976D+01 -0.229004D+02  0.259712D+02 -0.227489D+02
      4   0.270976D+01 -0.154591D+01  0.415661D+01  0.589692D+02 -0.427928D+02
      5   0.423700D+01  0.100193D+01  0.320815D+01  0.244107D+02 -0.774479D+01
      6   0.609927D+01  0.192354D+01 -0.169609D+02 -0.110681D+02  0.128269D+01
                21            22            23            24            25 
      1   0.139988D+02  0.247738D+02 -0.186292D+02 -0.118431D+02 -0.147430D+01
      2  -0.998497D+01 -0.318958D+01 -0.928850D+01  0.166403D+02 -0.868651D+00
      3  -0.401388D+01 -0.215843D+02  0.279177D+02 -0.479727D+01  0.234295D+01
      4  -0.815786D+01 -0.523431D+02  0.653124D+02 -0.480239D+00 -0.430408D+01
      5  -0.117917D+02 -0.208801D+02  0.419960D+01  0.177815D+02  0.894794D+01
      6   0.114272D+02  0.759815D+01  0.256435D+01 -0.755676D+01  0.570176D+00
                26            27            28            29            30 
      1  -0.287467D+01 -0.416992D+01  0.109466D+02 -0.127312D+02 -0.245673D+02
      2   0.607813D+01 -0.836605D+01  0.347370D+01 -0.852833D+01  0.168782D+02
      3  -0.320346D+01  0.125360D+02 -0.144203D+02  0.212595D+02  0.768912D+01
      4  -0.409851D+01  0.883967D+01 -0.410712D+02  0.489726D+02  0.210315D+02
      5   0.159198D+01 -0.446145D+01 -0.451898D+02  0.181342D+02  0.203322D+02
      6   0.675766D+01 -0.155510D+01  0.219873D+02 -0.124133D+02 -0.108276D+02
                31            32            33            34            35 
      1  -0.169392D+02  0.205312D+02  0.182675D+02 -0.377580D+02  0.255110D+02
      2  -0.970908D+01  0.935670D+01 -0.236000D+02  0.251307D+02 -0.305956D+02
      3   0.266483D+02 -0.298879D+02  0.533248D+01  0.126273D+02  0.508455D+01
      4   0.580937D+02 -0.581085D+02  0.909944D+01  0.171008D+02  0.116815D+02
      5   0.103077D+02  0.973737D+01 -0.147443D+02  0.266980D+02 -0.201579D+02
      6  -0.505765D+01 -0.208373D+02  0.944578D+01 -0.156253D+02  0.153873D+02
                36            37            38            39            40 
      1   0.390130D+01  0.567444D+01 -0.619185D+01  0.210099D+01 -0.104618D+02
      2  -0.490610D+01  0.441619D+01  0.352510D-01 -0.463893D+01 -0.470418D+00
      3   0.100480D+01 -0.100906D+02  0.615660D+01  0.253794D+01  0.109322D+02
      4  -0.191797D+02 -0.319117D+02  0.119937D+02  0.494393D+01  0.570190D+01
      5  -0.121354D+02 -0.436823D+01  0.326949D+00  0.529009D+00  0.391474D+01
      6  -0.990103D+00  0.486933D+01 -0.736106D+01 -0.412829D+01 -0.838079D+01
                41            42            43            44            45 
      1   0.249952D+02  0.724036D+01  0.147629D+02  0.460031D+01  0.423114D+01
      2  -0.619629D+01 -0.332667D+01 -0.949750D+01 -0.702874D+01 -0.873678D+00
      3  -0.187989D+02 -0.391369D+01 -0.526542D+01  0.242843D+01 -0.335746D+01
      4  -0.955977D+01 -0.202054D+01  0.134215D+02 -0.573174D+01 -0.641215D+01
      5  -0.610050D+01  0.247076D+01 -0.573439D+01  0.354153D+01 -0.222718D+01
      6  -0.208267D+01 -0.198389D+02 -0.186571D+01 -0.164372D+02 -0.738539D+00
                46            47            48            49            50 
      1  -0.158492D+02 -0.549435D+01 -0.134530D+02 -0.280906D+01  0.975641D+00
      2   0.192919D+01  0.305195D+01  0.112853D+02  0.662946D+01 -0.362549D+00
      3   0.139201D+02  0.244241D+01  0.216775D+01 -0.382039D+01 -0.613093D+00
      4   0.215399D+01  0.290256D+01 -0.924407D+01  0.828005D+00  0.202190D+02
      5  -0.143360D+02 -0.182180D+01  0.792988D+01 -0.899443D+00 -0.173141D+01
      6  -0.611901D+01  0.158096D+00  0.362968D+01  0.997675D+00 -0.722860D+01
                51            52            53            54            55 
      1  -0.701026D+01 -0.181488D+02 -0.476537D+01  0.966152D+01 -0.353376D+01
      2  -0.294072D+01  0.133137D+02  0.158801D+01 -0.598536D+01 -0.823328D+01
      3   0.995098D+01  0.483507D+01  0.317736D+01 -0.367616D+01  0.117670D+02
      4  -0.152340D+01 -0.189977D+02  0.530879D+00  0.171860D+01  0.169487D+02
      5  -0.456029D+01  0.981220D+01 -0.486379D+01  0.290351D+01  0.430377D+01
      6   0.217352D+01  0.386870D+01 -0.100737D+01  0.902646D+00 -0.566909D+01
                56            57            58            59            60 
      1   0.162021D+01  0.364643D+01 -0.229778D+01 -0.140820D+02  0.120502D+01
      2   0.127469D+02 -0.530288D+01  0.101519D+02  0.785030D+01  0.542844D+00
      3  -0.143671D+02  0.165645D+01 -0.785412D+01  0.623167D+01 -0.174786D+01
      4  -0.225554D+02 -0.529339D+01 -0.212097D+02  0.101549D+02  0.580638D+01
      5  -0.363114D+01 -0.115326D+01 -0.603308D+01  0.636099D+01  0.265448D+01
      6  -0.172170D+01 -0.833813D+01  0.583363D+00  0.345849D+01 -0.897085D+00
                61            62            63            64            65 
      1   0.298785D+01  0.380334D+01  0.330548D+01  0.754211D+01  0.105891D+02
      2  -0.250134D+01 -0.926909D+01  0.547832D+01  0.566236D+01 -0.687033D+01
      3  -0.486512D+00  0.546575D+01 -0.878380D+01 -0.132045D+02 -0.371873D+01
      4  -0.215504D+01  0.733027D+01 -0.346664D+01  0.574700D+00 -0.480228D+01
      5   0.918242D+00 -0.392484D+00 -0.137397D+01 -0.514117D+01  0.749342D+01
      6  -0.589552D+01  0.278265D+01  0.112619D+02  0.124321D+02  0.153723D+02
                66            67            68            69            70 
      1  -0.402842D+01  0.159396D+02 -0.975149D+01 -0.219583D+01 -0.203852D+00
      2   0.148944D+02 -0.404111D+01  0.378963D+01 -0.672567D+01  0.116095D+02
      3  -0.108660D+02 -0.118985D+02  0.596186D+01  0.892149D+01 -0.114056D+02
      4   0.707287D+01 -0.334338D+01 -0.350941D+01  0.365375D+01 -0.378530D+00
      5  -0.169831D+02  0.170666D+01  0.920162D+01 -0.961108D+01 -0.147127D+02
      6  -0.188249D+01  0.140879D+02 -0.127826D+02 -0.243924D+00  0.197107D+01
                71            72            73            74            75 
      1  -0.555582D+01 -0.644363D+01  0.231113D+02  0.241350D+01  0.110514D+02
      2   0.659617D+00 -0.306334D+01 -0.175976D+02 -0.198109D+01 -0.116984D+02
      3   0.489620D+01  0.950697D+01 -0.551368D+01 -0.432404D+00  0.646971D+00
      4   0.591097D+01  0.318138D+01  0.824339D+01  0.913910D+01  0.548666D+01
      5  -0.274010D+01 -0.454877D+01  0.198781D+02  0.331989D+01  0.180290D+02
      6  -0.288988D+01  0.121222D+01  0.248560D+01  0.135543D+01  0.342052D+01
                76            77            78            79            80 
      1  -0.474813D+01  0.980055D+00 -0.256884D+01  0.143624D+02 -0.354239D+00
      2   0.425780D+01 -0.396525D+00  0.324089D+01 -0.151828D+02 -0.157501D+00
      3   0.490337D+00 -0.583529D+00 -0.672049D+00  0.820368D+00  0.511741D+00
      4   0.565474D+01  0.724708D+00  0.242450D+01  0.688633D+01  0.371455D+01
      5  -0.305235D+01  0.350291D+01 -0.235373D+01  0.223729D+02  0.509874D+01
      6   0.202564D+01 -0.153029D+00  0.375762D+01  0.379993D+01  0.485547D+01
                81            82            83            84            85 
      1   0.746994D+01 -0.337227D+00 -0.272181D+01 -0.372141D+00 -0.371325D+01
      2  -0.161159D+02  0.648599D+01  0.862104D+01  0.985994D+00  0.974466D+01
      3   0.864596D+01 -0.614876D+01 -0.589922D+01 -0.613852D+00 -0.603141D+01
      4   0.810420D+01  0.665927D+01  0.135227D+02  0.761246D+00  0.113883D+02
      5   0.256241D+02  0.145281D+01  0.224834D+01  0.205147D+01  0.207818D+01
      6   0.521299D+01  0.866363D+00  0.258509D+01  0.664722D+00  0.316440D+01
                86            87            88            89            90 
      1  -0.390446D+02 -0.350290D+01  0.204798D+00  0.292471D+01 -0.534176D+01
      2   0.721369D+02  0.321030D+01 -0.731285D+00 -0.799142D+01  0.432290D+01
      3  -0.330923D+02  0.292606D+00  0.526487D+00  0.506670D+01  0.101887D+01
      4   0.219443D+02  0.199846D+01 -0.153326D+01 -0.235555D+01  0.138680D+01
      5   0.293555D+01  0.179862D+01  0.985986D+00  0.187674D+01 -0.269902D+00
      6   0.141317D+02  0.919916D+01  0.329909D+00  0.790702D+01  0.133879D+01
                91            92            93            94            95 
      1  -0.814413D+00  0.961724D+00  0.342167D+01 -0.163136D+01 -0.546992D+01
      2  -0.348892D+01 -0.158328D+00  0.186222D-01  0.849529D+00  0.543401D+01
      3   0.430333D+01 -0.803396D+00 -0.344029D+01  0.781827D+00  0.359061D-01
      4  -0.196504D+01  0.309295D+01  0.292999D+01  0.600372D+00 -0.126478D+00
      5  -0.201481D+01  0.870291D+00  0.614513D+01 -0.251652D+00  0.131322D-01
      6   0.229232D+01 -0.229808D+01 -0.481201D+01 -0.824752D+00  0.338633D+01
                96            97            98            99           100 
      1  -0.137951D+01  0.427119D+01 -0.818551D+01 -0.250711D+02  0.599605D+02
      2   0.327777D+01  0.997323D+00  0.311808D+01 -0.127711D+02 -0.275019D+02
      3  -0.189825D+01 -0.526851D+01  0.506743D+01  0.378422D+02 -0.324586D+02
      4  -0.154773D+00  0.360046D+01  0.155670D+00 -0.927470D-01 -0.317413D+02
      5  -0.614971D+00  0.518940D+01  0.589664D+00  0.213308D+01  0.181555D+02
      6   0.450894D+01 -0.274114D+01  0.121685D+02  0.287735D+02 -0.105360D+02
               101           102           103           104           105 
      1  -0.105537D+02  0.153460D+02 -0.111268D+01  0.442060D+01  0.111206D+01
      2   0.140594D+01 -0.775525D+01 -0.334823D+01  0.270937D+01 -0.353372D+00
      3   0.914780D+01 -0.759072D+01  0.446091D+01 -0.712997D+01 -0.758691D+00
      4   0.176556D+02 -0.100306D+02  0.122392D+02 -0.945951D+01 -0.601590D+00
      5  -0.596676D+01  0.111647D+02  0.358998D+01 -0.149012D+01 -0.167602D+00
      6   0.409352D+01 -0.594762D+01 -0.700103D+00  0.180751D+01  0.150730D+01
               106           107           108           109           110 
      1   0.324197D+02 -0.804554D+01  0.763707D+01  0.393293D+01 -0.956026D+01
      2  -0.176459D+02  0.382429D+01 -0.637638D+01  0.185403D+01  0.644146D+01
      3  -0.147737D+02  0.422125D+01 -0.126069D+01 -0.578696D+01  0.311881D+01
      4  -0.141433D+02  0.297031D+01 -0.292760D+01 -0.500951D+01  0.429553D+01
      5   0.847611D+01  0.472449D+00  0.895306D+01  0.170601D+01 -0.282443D+01
      6  -0.349505D+01  0.110811D+01 -0.305119D+01 -0.134652D+00  0.631039D+01
               111           112           113           114           115 
      1  -0.263768D+01 -0.317866D+01 -0.245162D+02 -0.103291D+02  0.840168D+00
      2   0.260599D+01 -0.185063D+01  0.410229D+02  0.126519D+02 -0.269836D+01
      3   0.316936D-01  0.502929D+01 -0.165067D+02 -0.232281D+01  0.185819D+01
      4  -0.268350D+01  0.128611D+02 -0.305449D+02 -0.112761D+02 -0.147304D+00
      5  -0.108818D+01  0.356818D+01 -0.135899D+02 -0.840065D+01 -0.104427D+00
      6   0.358515D+01 -0.368168D+01  0.217408D+02  0.130795D+02  0.101307D+01
               116           117           118           119           120 
      1  -0.163562D+02 -0.878887D+01 -0.585662D-01 -0.127961D+01 -0.158346D+01
      2   0.215946D+02  0.697545D+01  0.152553D+00  0.513794D+00  0.206180D+00
      3  -0.523847D+01  0.181342D+01 -0.939865D-01  0.765818D+00  0.137728D+01
      4  -0.117159D+02 -0.358560D+01  0.241651D+01  0.729235D+01  0.342786D+01
      5  -0.502140D+01 -0.344083D+01  0.782455D+00  0.442048D+01  0.551896D+01
      6   0.108824D+02  0.862406D+01  0.475635D+01  0.188565D+01  0.270259D+01
               121           122           123           124           125 
      1  -0.297713D+01 -0.179632D+02 -0.127594D+02 -0.648803D+00 -0.100196D+02
      2   0.162333D+01  0.151388D+02  0.521388D+01  0.513312D+00  0.266176D+01
      3   0.135381D+01  0.282443D+01  0.754556D+01  0.135491D+00  0.735779D+01
      4   0.641372D+01  0.501058D+01  0.281586D+01  0.963914D+00  0.219782D+01
      5   0.354135D+01  0.150063D+01  0.200291D+01  0.334532D+01  0.138008D+01
      6   0.220429D+01  0.219436D+02  0.188234D+02  0.250405D+01  0.162605D+02
               126           127           128           129           130 
      1  -0.144413D+02  0.116471D+02  0.385795D+01  0.629785D+01  0.595283D+01
      2  -0.990558D+00  0.108932D+02 -0.665347D+01 -0.126469D+02 -0.126850D+02
      3   0.154319D+02 -0.225403D+02  0.279552D+01  0.634901D+01  0.673220D+01
      4   0.317119D+01  0.742024D+01  0.589726D+00  0.398919D+01 -0.114253D+01
      5   0.131908D+01  0.575008D+01 -0.480958D+01 -0.208558D+02 -0.663913D+01
      6   0.156170D+02 -0.383412D+00  0.383017D+01  0.231100D+01  0.552659D+01
               131           132           133           134           135 
      1   0.888910D+01  0.293403D+01  0.601421D+01  0.600859D+01 -0.135936D+02
      2  -0.238919D+02  0.138421D+02 -0.115533D+02  0.537381D+01  0.120314D+02
      3   0.150028D+02 -0.167761D+02  0.553911D+01 -0.113824D+02  0.156223D+01
      4  -0.176743D+02  0.168940D+01  0.548013D+01 -0.420715D+00  0.195483D+01
      5   0.416708D+01  0.103556D+02 -0.204160D+02  0.624163D+01  0.959989D+01
      6   0.208092D+02  0.148741D+01  0.105531D+01  0.544270D+01 -0.135855D+02
               136           137           138           139           140 
      1   0.323549D+01  0.169387D+02  0.244994D+02  0.231419D+02  0.126708D+01
      2   0.964668D+00 -0.124335D+02 -0.119808D+02 -0.205166D+02 -0.147112D+02
      3  -0.420015D+01 -0.450527D+01 -0.125186D+02 -0.262531D+01  0.134442D+02
      4   0.165334D+02 -0.516696D+01  0.235630D+01 -0.110966D+02 -0.356054D+02
      5   0.262987D+02 -0.969812D+00 -0.134182D+02 -0.273427D+01 -0.375667D+01
      6   0.458230D+01 -0.678634D+00 -0.153294D+01 -0.166538D+01 -0.586134D+01
               141           142           143           144           145 
      1  -0.137484D+01  0.305767D+02 -0.213764D+01 -0.181166D+02  0.153408D+02
      2  -0.184410D+01 -0.148433D+02 -0.217470D+01  0.159653D+02  0.355707D+01
      3   0.321895D+01 -0.157334D+02  0.431234D+01  0.215136D+01 -0.188978D+02
      4  -0.333677D+01  0.344545D+01 -0.352867D+01  0.122339D+02 -0.303578D+02
      5   0.148313D+02 -0.196670D+02  0.138799D+02 -0.149353D+02 -0.400663D+01
      6   0.206738D+01 -0.160210D+01  0.272029D+01 -0.104737D+01  0.202040D+01
               146           147           148           149           150 
      1  -0.469489D+01 -0.186962D+01 -0.130579D+01 -0.428389D+01 -0.534856D+00
      2  -0.115243D+02  0.116145D+00 -0.115633D+02  0.220101D+02  0.288329D+01
      3   0.162192D+02  0.175347D+01  0.128691D+02 -0.177263D+02 -0.234843D+01
      4   0.277522D+02  0.386016D+01  0.231546D+02 -0.260045D+02 -0.344396D+01
      5   0.235883D+01  0.587851D+01  0.189653D+01 -0.261163D+01 -0.256248D+01
      6  -0.176727D+01 -0.342664D+01 -0.145653D+01  0.248065D+01  0.640758D+01
               151           152           153           154           155 
      1  -0.146995D+01 -0.664884D+00 -0.122143D+01  0.132251D+01  0.112513D+01
      2   0.857486D-01  0.346157D+01  0.200862D+01 -0.118307D+02  0.167868D+00
      3   0.138420D+01 -0.279669D+01 -0.787197D+00  0.105082D+02 -0.129299D+01
      4   0.370849D+01 -0.384868D+01 -0.508584D+01 -0.524639D+01  0.391519D+01
      5   0.553744D+01 -0.416202D+01 -0.220949D+01  0.195851D+02 -0.474818D+01
      6  -0.379634D+01  0.759388D+01  0.967013D+00 -0.928514D+01  0.457174D+01
               156           157           158           159           160 
      1  -0.320710D+01 -0.248248D+01 -0.152929D+01  0.194039D+01 -0.147615D+01
      2  -0.127780D+02 -0.361041D+00 -0.679211D+00 -0.184161D+01 -0.109905D+02
      3   0.159851D+02  0.284353D+01  0.220851D+01 -0.987751D-01  0.124667D+02
      4  -0.481881D+01  0.441018D+01 -0.188514D+01  0.284400D+01 -0.369324D+01
      5   0.190858D+02 -0.838661D+00  0.330377D+01 -0.100738D+01  0.166130D+02
      6  -0.922688D+01  0.226741D+01 -0.241457D+01  0.708071D+01 -0.626624D+01
               161           162           163           164           165 
      1   0.434399D+01 -0.117232D+02 -0.308341D+01 -0.782037D+01  0.867257D+01
      2   0.621295D+00 -0.157600D+02 -0.145901D+01  0.464531D+01  0.137177D+01
      3  -0.496529D+01  0.274832D+02  0.454242D+01  0.317506D+01 -0.100443D+02
      4   0.271003D+01 -0.402801D+01  0.830556D+01  0.821295D+01 -0.677744D+01
      5  -0.308985D+01  0.197835D+02 -0.112658D+02 -0.749794D+01  0.125194D+02
      6   0.798275D+01 -0.126035D+02 -0.959212D+01 -0.136744D+02  0.126397D+02
               166           167           168           169           170 
      1  -0.493611D+01 -0.102795D+02  0.930177D+01  0.374281D+01  0.759936D+01
      2   0.276000D+01  0.970837D+01 -0.156440D+01  0.594036D+00 -0.523133D+00
      3   0.217611D+01  0.571158D+00 -0.773738D+01 -0.433684D+01 -0.707623D+01
      4   0.754367D+01  0.591863D+01 -0.473703D+01 -0.439340D+01 -0.411171D+01
      5  -0.547723D+01 -0.666606D+01  0.522263D+01  0.879802D+01  0.469644D+01
      6  -0.856232D+01 -0.140120D+02  0.147955D+02  0.608872D+01  0.120916D+02
               171           172           173           174           175 
      1  -0.107969D+02 -0.473221D+01  0.971954D+00 -0.100271D+02 -0.858734D+00
      2  -0.319121D+01 -0.448699D+01 -0.874178D+00 -0.396689D+01  0.114558D+01
      3   0.139881D+02  0.921920D+01 -0.977757D-01  0.139940D+02 -0.286849D+00
      4   0.439294D+01 -0.884553D+01  0.446209D+00 -0.215954D+01  0.142018D+01
      5  -0.758710D+01  0.132771D+02  0.167978D+01  0.790129D+01  0.177870D+01
      6  -0.142906D+02 -0.255640D-01  0.407884D+01 -0.508141D+01  0.186386D+01
               176           177           178           179           180 
      1  -0.241371D+01 -0.738023D+00 -0.537342D+01 -0.434719D+00 -0.630867D+01
      2   0.312647D+01 -0.259027D+01 -0.255742D+01 -0.130549D+01 -0.604195D+01
      3  -0.712766D+00  0.332829D+01  0.793084D+01  0.174021D+01  0.123506D+02
      4   0.119715D+01 -0.138262D-01 -0.310839D+01  0.619682D+00 -0.255974D+01
      5   0.143731D+01 -0.154458D+01  0.967288D+01  0.585063D-01  0.497810D+01
      6  -0.174639D+01  0.189880D+01 -0.190375D+01  0.250262D+01 -0.177106D+01
               181           182           183           184           185 
      1  -0.390970D+00  0.119555D+01 -0.335139D+00 -0.452393D+00 -0.203230D+02
      2   0.156438D+01  0.193640D+01  0.138531D+01  0.512281D+01  0.370393D+02
      3  -0.117341D+01 -0.313195D+01 -0.105017D+01 -0.467041D+01 -0.167164D+02
      4   0.418270D+01  0.792964D+01 -0.224755D+01  0.106232D+02  0.209341D+02
      5  -0.243746D+01 -0.307080D+01  0.486388D+01 -0.453001D+01 -0.575415D+01
      6  -0.294430D+01 -0.328537D+01  0.117235D+01 -0.592895D+01 -0.294579D+02
               186           187           188           189           190 
      1   0.803208D+01  0.242809D+00  0.171957D+01 -0.234216D+01  0.864480D+01
      2  -0.510562D+01  0.179973D+01  0.159853D+01  0.969378D+00 -0.167690D+02
      3  -0.292646D+01 -0.204254D+01 -0.331810D+01  0.137279D+01  0.812416D+01
      4  -0.514807D+01  0.117521D+00  0.751510D+00  0.194606D+01  0.242428D+01
      5   0.423033D+01  0.301517D+01  0.122969D+01 -0.161529D+01 -0.226608D+02
      6   0.138760D+02  0.107311D+01  0.611480D+01 -0.252670D+01 -0.153311D+00
               191           192           193           194           195 
      1  -0.211964D+01 -0.916804D+00 -0.323920D+01 -0.618788D+00 -0.166803D+01
      2   0.383346D+01  0.164368D+02  0.685451D+01 -0.807875D+00 -0.873220D+01
      3  -0.171382D+01 -0.155200D+02 -0.361531D+01  0.142666D+01  0.104002D+02
      4   0.389650D+01 -0.309669D+01  0.285902D+01 -0.877845D+00 -0.269656D+01
      5   0.277190D+01  0.243856D+02  0.874116D+01 -0.548667D+01 -0.993281D+01
      6  -0.538184D+01  0.171837D+01 -0.419644D+01  0.209750D+01  0.482312D+01
               196           197           198           199           200 
      1  -0.147020D+01 -0.350996D+00 -0.638418D+01  0.889054D+01 -0.415440D+01
      2   0.134542D+02 -0.360807D+01 -0.215659D+02 -0.772309D+01  0.314724D+01
      3  -0.119840D+02  0.395907D+01  0.279501D+02 -0.116745D+01  0.100717D+01
      4  -0.235055D+01 -0.279167D+01  0.167825D+01 -0.307311D+01  0.290537D+01
      5   0.199216D+02 -0.311841D+01 -0.254293D+02  0.819354D+01 -0.310287D+01
      6   0.597247D+00  0.548653D+01 -0.878590D+00 -0.702619D+00  0.497262D+00
               201           202           203           204           205 
      1   0.557602D+01 -0.982636D+01  0.712025D+00 -0.191953D+01  0.129433D+02
      2  -0.602939D+01  0.672256D+01  0.702330D-01  0.362991D+01 -0.110098D+02
      3   0.453371D+00  0.310379D+01 -0.782258D+00 -0.171038D+01 -0.193342D+01
      4  -0.162327D+01  0.410283D+01 -0.184966D+01  0.562947D+01  0.191107D+00
      5   0.136206D+02 -0.527748D+01  0.540228D+01 -0.102026D+02  0.203242D+02
      6   0.603917D+00  0.587095D+00 -0.142022D+01  0.217899D+01  0.219803D+01
               206           207           208           209           210 
      1  -0.535694D+00  0.651948D+01  0.518438D+02 -0.870107D+01 -0.175704D+02
      2   0.344883D+01 -0.168569D+02 -0.282448D+02  0.532836D+01  0.100417D+02
      3  -0.291314D+01  0.103374D+02 -0.235989D+02  0.337271D+01  0.752868D+01
      4   0.810058D+01 -0.528231D+01 -0.258826D+01  0.864853D+01  0.117588D+01
      5  -0.716247D+01  0.329273D+02 -0.188594D+02  0.298695D+01  0.156018D+02
      6   0.299966D+01  0.320405D+01 -0.187636D+01  0.184687D-02  0.187668D+01
               211           212           213           214           215 
      1  -0.189562D+02  0.666172D+01  0.466398D+01 -0.328726D+02  0.393048D+01
      2   0.111543D+02 -0.164259D+01 -0.268843D+01  0.189339D+02 -0.254748D+01
      3   0.780191D+01 -0.501913D+01 -0.197555D+01  0.139387D+02 -0.138300D+01
      4   0.101628D+02 -0.248352D+01 -0.398198D+01 -0.221369D+00 -0.673081D+01
      5   0.612322D+01 -0.386005D+01 -0.731139D+01  0.207814D+02 -0.469017D+01
      6  -0.614273D+00  0.150043D+01  0.133021D+01  0.161912D+01  0.127623D+01
               216           217           218           219           220 
      1   0.139280D+02  0.688157D+01  0.523637D+01 -0.119523D+01  0.101642D+02
      2  -0.116261D+02 -0.369036D+00 -0.467562D+00  0.969534D+00  0.380702D+01
      3  -0.230189D+01 -0.651254D+01 -0.476881D+01  0.225699D+00 -0.139712D+02
      4  -0.270977D+01  0.767609D+01  0.117427D+02  0.982506D+00  0.261233D+02
      5  -0.162638D+02 -0.673723D+00  0.162778D+01  0.320734D+01  0.400147D+01
      6  -0.125121D+01  0.688350D+00  0.880778D+00  0.364698D+00  0.326425D+01
               221           222           223           224           225 
      1  -0.471629D+01  0.218586D+00 -0.272911D+01 -0.224158D+00  0.118064D+01
      2   0.260370D+02  0.805846D+00  0.124934D+01  0.836657D+00  0.104385D+00
      3  -0.213207D+02 -0.102443D+01  0.147977D+01 -0.612499D+00 -0.128503D+01
      4   0.476963D+02  0.426252D+01  0.117066D+01  0.288439D+01  0.390672D+01
      5   0.444452D+01  0.675061D+01  0.605563D+01  0.379644D+01  0.273026D+01
      6   0.762714D+01  0.693056D+01  0.245587D+01  0.586155D+01  0.135628D+01
               226           227           228           229           230 
      1   0.152139D+02  0.108597D+02 -0.475911D+01  0.743901D+01  0.239140D+01
      2  -0.542826D+01 -0.274198D+01  0.107395D+01  0.148029D+00  0.601157D+01
      3  -0.978565D+01 -0.811769D+01  0.368515D+01 -0.758704D+01 -0.840297D+01
      4   0.183433D+02  0.216099D+02 -0.614689D+01  0.150329D+02  0.252087D+02
      5  -0.627303D+01 -0.306854D+01  0.739771D+01 -0.285981D+01 -0.650205D+01
      6  -0.473953D+01 -0.485400D+01  0.385989D+01 -0.459830D+01 -0.587441D+01
               231           232           233           234 
      1  -0.287496D+01 -0.970549D+01 -0.413432D+01  0.512662D+01
      2  -0.169513D+01  0.362286D+01 -0.209374D+01 -0.343116D+01
      3   0.457010D+01  0.608263D+01  0.622807D+01 -0.169546D+01
      4  -0.816775D+01 -0.114142D+02 -0.208398D+02  0.100495D+02
      5   0.256630D+01  0.924185D+01  0.700019D+01 -0.920476D+01
      6   0.660895D+01  0.539116D+01  0.805533D+01 -0.586685D+01
 Leave Link  716 at Fri Jul  9 23:36:46 2021, MaxMem= 17179869184 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.129508D+03 -0.820693D+01  0.454774D-01
      2  -0.820693D+01  0.121303D+03  0.106242D+01
      3   0.454774D-01  0.106242D+01  0.105726D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.390850D+01 -0.418517D+01  0.323645D+01
      2   0.702314D+01  0.214860D+01 -0.700307D+01
      3   0.108299D+02 -0.103439D+02 -0.614882D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.141250D+02 -0.315867D+02  0.298923D+01
      2   0.187292D+02 -0.881706D+01 -0.682755D+01
      3  -0.328542D+02  0.404038D+02  0.383832D+01
      4  -0.766446D+02  0.608716D+02  0.134739D+02
      5   0.434810D+01  0.196186D+02 -0.197651D+02
      6   0.101382D+02 -0.375033D+01 -0.165181D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.141917D+01 -0.202646D+01 -0.165257D+01 -0.939197D+00  0.142413D+01
      2  -0.202646D+01 -0.138992D+01  0.112258D+01  0.142413D+01 -0.368901D+01
      3  -0.165257D+01  0.112258D+01 -0.253959D+01  0.188144D+01  0.122985D+01
                 6             7             8             9            10 
      1   0.188144D+01 -0.331386D+01  0.205225D+01 -0.338256D+01 -0.266900D-01
      2   0.122985D+01  0.205225D+01  0.260230D+01 -0.102436D+01  0.240439D+01
      3   0.140051D-01 -0.338256D+01 -0.102436D+01 -0.598202D+00  0.175725D+01
                11            12            13            14            15 
      1   0.240439D+01  0.175725D+01  0.215575D+01 -0.313068D+01 -0.933173D-01
      2  -0.327844D+01 -0.920062D-02 -0.313068D+01 -0.629538D+01  0.678746D+00
      3  -0.920062D-02  0.192985D+01 -0.933173D-01  0.678746D+00  0.101831D+01
                16            17            18            19            20 
      1   0.241699D+01  0.106517D+00  0.190724D+01 -0.136653D+02  0.101924D+02
      2   0.106517D+00  0.155207D+01 -0.150690D+00  0.101924D+02 -0.870129D+01
      3   0.190724D+01 -0.150690D+00 -0.544796D+01  0.350171D+01 -0.483415D+00
                21            22            23            24            25 
      1   0.350171D+01  0.992226D+01 -0.891593D+01 -0.198429D+01  0.284925D+00
      2  -0.483415D+00 -0.891593D+01  0.115344D+02 -0.215134D+01  0.322781D+00
      3  -0.202759D+01 -0.198429D+01 -0.215134D+01  0.286735D+01 -0.870674D+00
                26            27            28            29            30 
      1   0.322781D+00 -0.870674D+00  0.806131D+01 -0.741155D+01 -0.598319D+01
      2  -0.175751D+01  0.988623D+00 -0.741155D+01  0.830099D+01  0.242504D+01
      3   0.988623D+00  0.244413D-01 -0.598319D+01  0.242504D+01  0.296260D+01
                31            32            33            34            35 
      1  -0.103680D+02  0.942171D+01  0.953862D+00 -0.675710D+01  0.137432D+01
      2   0.942171D+01 -0.100704D+02  0.395973D+01  0.137432D+01  0.501939D+01
      3   0.953862D+00  0.395973D+01 -0.291535D+01  0.381665D+01 -0.346661D+01
                36            37            38            39            40 
      1   0.381665D+01  0.117239D+02 -0.584007D+01 -0.394536D+01 -0.230015D+01
      2  -0.346661D+01 -0.584007D+01  0.371054D+01 -0.601559D+00  0.278391D+01
      3  -0.103525D+01 -0.394536D+01 -0.601559D+00  0.254378D+01 -0.836450D+00
                41            42            43            44            45 
      1   0.278391D+01 -0.836450D+00 -0.706188D+01  0.441469D+00  0.300083D+01
      2   0.762217D+00  0.547288D+01  0.441469D+00  0.490523D+01  0.112001D+01
      3   0.547288D+01  0.732012D+00  0.300083D+01  0.112001D+01 -0.134259D+01
                46            47            48            49            50 
      1  -0.414692D+01  0.322237D+01  0.595849D+01  0.417790D+01 -0.474952D+01
      2   0.322237D+01 -0.281407D+01  0.102015D+00 -0.474952D+01 -0.708248D+01
      3   0.595849D+01  0.102015D+00 -0.232994D+01 -0.239278D+00 -0.445539D+00
                51            52            53            54            55 
      1  -0.239278D+00  0.111341D+02 -0.195554D+01 -0.268023D+01  0.170912D+01
      2  -0.445539D+00 -0.195554D+01  0.104112D+01  0.240726D+01 -0.330070D+01
      3   0.188786D+01 -0.268023D+01  0.240726D+01 -0.102233D+01 -0.246971D+01
                56            57            58            59            60 
      1  -0.330070D+01 -0.246971D+01 -0.324876D+01  0.585816D+01  0.342955D-01
      2   0.547558D+01 -0.156207D+00  0.585816D+01  0.386782D+01 -0.232100D+01
      3  -0.156207D+00 -0.143579D+01  0.342955D-01 -0.232100D+01  0.173366D+01
                61            62            63            64            65 
      1  -0.245127D+01 -0.641495D+00 -0.161440D+01 -0.733054D-01 -0.973480D+00
      2  -0.641495D+00 -0.285578D+01  0.429881D+00 -0.973480D+00 -0.387857D+01
      3  -0.161440D+01  0.429881D+00  0.488863D+01  0.407235D+01  0.263887D+01
                66            67            68            69            70 
      1   0.407235D+01  0.740508D+00 -0.427905D+01  0.315864D+01  0.362784D+01
      2   0.263887D+01 -0.427905D+01  0.398567D+01 -0.124255D+01  0.179498D+01
      3   0.174666D+01  0.315864D+01 -0.124255D+01 -0.269937D+01  0.137525D+01
                71            72            73            74            75 
      1   0.179498D+01  0.137525D+01  0.432715D+01  0.580709D+00  0.251662D+01
      2  -0.386384D+00 -0.222653D+01  0.580709D+00  0.126573D+01  0.437054D+00
      3  -0.222653D+01 -0.157701D+01  0.251662D+01  0.437054D+00  0.238576D+01
                76            77            78            79            80 
      1  -0.730980D+00  0.681404D+00 -0.536643D+00  0.379687D+01  0.249316D+00
      2   0.681404D+00 -0.645347D-01  0.526134D+00  0.249316D+00  0.648661D+00
      3  -0.536643D+00  0.526134D+00 -0.290866D+00  0.316204D+01  0.829927D+00
                81            82            83            84            85 
      1   0.316204D+01  0.904610D+00  0.142842D+01 -0.938374D-01  0.149862D+01
      2   0.829927D+00  0.142842D+01  0.182308D+01  0.206985D+00  0.202169D+01
      3   0.418512D+01 -0.938374D-01  0.206985D+00 -0.784421D-01  0.251974D+00
                86            87            88            89            90 
      1   0.202169D+01  0.251974D+00 -0.644193D+00 -0.206477D+00 -0.275558D-01
      2   0.116991D+02  0.816808D+00 -0.206477D+00 -0.134235D+01  0.113670D+01
      3   0.816808D+00  0.100783D+01 -0.275558D-01  0.113670D+01  0.442995D+00
                91            92            93            94            95 
      1  -0.756469D+00 -0.105423D+00  0.923863D+00 -0.376321D+00  0.433236D-01
      2  -0.105423D+00  0.692811D-01 -0.294332D+00  0.433236D-01  0.732633D+00
      3   0.923863D+00 -0.294332D+00 -0.123044D+01 -0.118334D-02  0.870983D+00
                96            97            98            99           100 
      1  -0.118334D-02  0.128871D+01 -0.576210D-01 -0.904299D+00  0.908498D+01
      2   0.870983D+00 -0.576210D-01  0.155632D+01  0.179713D+01 -0.242951D+01
      3  -0.171577D+00 -0.904299D+00  0.179713D+01  0.841951D+01  0.293767D+01
               101           102           103           104           105 
      1  -0.242951D+01  0.293767D+01 -0.692834D+00  0.143553D+01  0.508551D+00
      2   0.179681D+01 -0.848245D+00  0.143553D+01 -0.156099D+01 -0.289105D+00
      3  -0.848245D+00  0.149620D+01  0.508551D+00 -0.289105D+00  0.435015D-01
               106           107           108           109           110 
      1   0.531687D+01 -0.831421D+00  0.130436D+01  0.106373D+01 -0.113738D+01
      2  -0.831421D+00 -0.461944D-01  0.442027D-01 -0.113738D+01 -0.790861D+00
      3   0.130436D+01  0.442027D-01  0.101101D+01  0.194901D+00 -0.110798D+01
               111           112           113           114           115 
      1   0.194901D+00 -0.154075D+01  0.142162D+01  0.425233D+00  0.680215D-01
      2  -0.110798D+01  0.142162D+01 -0.810148D+01 -0.303908D+01 -0.138815D+00
      3  -0.589758D+00  0.425233D+00 -0.303908D+01 -0.185420D+01 -0.298447D+00
               116           117           118           119           120 
      1  -0.138815D+00 -0.298447D+00 -0.518052D+00 -0.954133D+00 -0.486129D+00
      2  -0.417594D+01 -0.146324D+01 -0.954133D+00 -0.783920D+00 -0.381901D+00
      3  -0.146324D+01 -0.118054D+01 -0.486129D+00 -0.381901D+00 -0.695616D+00
               121           122           123           124           125 
      1  -0.166202D+01 -0.547901D+00 -0.498647D+00  0.856327D-02 -0.473580D+00
      2  -0.547901D+00 -0.534479D+01 -0.329263D+01 -0.473580D+00 -0.258904D+01
      3  -0.498647D+00 -0.329263D+01 -0.288095D+01 -0.579297D+00 -0.261709D+01
               126           127           128           129           130 
      1  -0.579297D+00 -0.242347D+01 -0.154015D+01 -0.460873D+01 -0.190923D+01
      2  -0.261709D+01 -0.154015D+01  0.129466D+01  0.206435D+00  0.208403D+01
      3  -0.352753D+01 -0.460873D+01  0.206435D+00  0.220844D+01  0.658598D+00
               131           132           133           134           135 
      1   0.208403D+01  0.658598D+00 -0.462610D+01  0.515974D+00  0.221446D+01
      2   0.665033D+01 -0.711733D+00  0.515974D+00  0.278174D+00 -0.272704D+01
      3  -0.711733D+00 -0.300436D+01  0.221446D+01 -0.272704D+01  0.287945D+00
               136           137           138           139           140 
      1  -0.527586D+00 -0.250262D+01 -0.420630D+01 -0.359772D+01  0.313729D+01
      2  -0.250262D+01  0.119419D+01  0.140247D+00  0.313729D+01  0.658180D+01
      3  -0.420630D+01  0.140247D+00  0.201573D+01  0.351758D+00  0.944083D+00
               141           142           143           144           145 
      1   0.351758D+00 -0.588195D+01  0.905644D+00  0.309281D+01 -0.606876D+01
      2   0.944083D+00  0.905644D+00  0.368730D+00 -0.259448D+01  0.419510D+01
      3  -0.289354D+01  0.309281D+01 -0.259448D+01  0.272999D+01  0.966760D+00
               146           147           148           149           150 
      1   0.419510D+01  0.966760D+00  0.322330D+01 -0.368783D+01 -0.231655D+00
      2  -0.448414D+01 -0.539671D+00 -0.368783D+01  0.512977D+01  0.909657D+00
      3  -0.539671D+00 -0.828270D+00 -0.231655D+00  0.909657D+00  0.749937D+00
               151           152           153           154           155 
      1   0.104388D+01 -0.368239D+00 -0.879380D+00 -0.403234D+01  0.104521D+01
      2  -0.368239D+00  0.110354D+01  0.118857D+01  0.104521D+01 -0.801802D+00
      3  -0.879380D+00  0.118857D+01  0.337491D+00 -0.345009D+01  0.481818D+00
               156           157           158           159           160 
      1  -0.345009D+01  0.184944D-01 -0.287218D+00 -0.104793D+00 -0.305706D+01
      2   0.481818D+00 -0.287218D+00  0.222967D+00 -0.859450D+00  0.414811D+00
      3  -0.381082D+01 -0.104793D+00 -0.859450D+00  0.528320D+00 -0.305731D+01
               161           162           163           164           165 
      1   0.414811D+00 -0.305731D+01  0.285718D+01  0.189282D+01 -0.241512D+01
      2  -0.112103D+01  0.126387D+01  0.189282D+01  0.271543D+01 -0.208052D+01
      3   0.126387D+01 -0.539720D+01 -0.241512D+01 -0.208052D+01  0.292604D+01
               166           167           168           169           170 
      1   0.116747D+01  0.190862D+01 -0.123702D+01 -0.134693D+01 -0.109127D+01
      2   0.190862D+01  0.288331D+01 -0.208480D+01 -0.109127D+01 -0.152343D+01
      3  -0.123702D+01 -0.208480D+01  0.246158D+01  0.128281D+01  0.214219D+01
               171           172           173           174           175 
      1   0.128281D+01  0.506715D+01  0.597517D+00  0.176756D+01  0.754085D+00
      2   0.214219D+01  0.597517D+00  0.866345D+00 -0.260574D+00  0.408328D+00
      3  -0.335325D+01  0.176756D+01 -0.260574D+00  0.261211D+01 -0.912492D-01
               176           177           178           179           180 
      1   0.408328D+00 -0.912492D-01  0.180190D+01 -0.206169D-01  0.131061D+01
      2  -0.414942D+00  0.341036D+00 -0.206169D-01  0.351791D+00  0.257385D+00
      3   0.341036D+00  0.609824D+00  0.131061D+01  0.257385D+00  0.210001D+01
               181           182           183           184           185 
      1  -0.452192D+00 -0.956844D+00  0.723653D+00 -0.141120D+01 -0.175105D+01
      2  -0.956844D+00 -0.975980D+00  0.175008D+00 -0.175105D+01 -0.852793D+01
      3   0.723653D+00  0.175008D+00 -0.591011D+00  0.413090D+00  0.214120D+01
               186           187           188           189           190 
      1   0.413090D+00  0.239331D+00 -0.118489D+00 -0.373952D+00 -0.368875D+01
      2   0.214120D+01 -0.118489D+00 -0.388718D-01 -0.667357D+00  0.504100D+00
      3  -0.181473D+01 -0.373952D+00 -0.667357D+00  0.336622D+00  0.340095D+01
               191           192           193           194           195 
      1   0.504100D+00  0.340095D+01  0.152854D+01 -0.933329D+00 -0.120618D+01
      2  -0.109052D+01 -0.210516D+00 -0.933329D+00  0.268930D+00  0.981663D+00
      3  -0.210516D+00 -0.409227D+01 -0.120618D+01  0.981663D+00  0.231247D+01
               196           197           198           199           200 
      1   0.259722D+01 -0.251930D+00 -0.308199D+01 -0.132513D+01  0.803133D+00
      2  -0.251930D+00  0.690914D+00  0.755398D+00  0.803133D+00 -0.349697D+00
      3  -0.308199D+01  0.755398D+00  0.548771D+01 -0.116058D+01  0.300328D+00
               201           202           203           204           205 
      1  -0.116058D+01  0.177135D+01 -0.614357D+00  0.584007D+00 -0.257967D+01
      2   0.300328D+00 -0.614357D+00  0.351810D+00 -0.108436D+01  0.672683D-01
      3  -0.159310D+01  0.584007D+00 -0.108436D+01  0.171633D+01 -0.265174D+01
               206           207           208           209           210 
      1   0.672683D-01 -0.265174D+01 -0.714050D+01  0.996524D+00  0.262024D+01
      2  -0.133633D+01  0.132774D+01  0.996524D+00 -0.936101D+00 -0.473150D+00
      3   0.132774D+01 -0.561878D+01  0.262024D+01 -0.473150D+00 -0.183298D+01
               211           212           213           214           215 
      1   0.310137D+01 -0.165849D+01 -0.832448D+00  0.562850D+01 -0.593561D+00
      2  -0.165849D+01  0.319495D+00  0.572497D+00 -0.593561D+00  0.939798D+00
      3  -0.832448D+00  0.572497D+00  0.107773D+01 -0.273999D+01  0.709004D+00
               216           217           218           219           220 
      1  -0.273999D+01 -0.124523D+01 -0.100482D+01  0.208189D+00 -0.318026D+01
      2   0.709004D+00 -0.100482D+01 -0.907512D+00 -0.765123D-01 -0.358448D+01
      3   0.223175D+01  0.208189D+00 -0.765123D-01 -0.231387D+00 -0.504448D+00
               221           222           223           224           225 
      1  -0.358448D+01 -0.504448D+00  0.382523D+00 -0.229675D+00 -0.861725D+00
      2  -0.812486D+01 -0.745192D+00 -0.229675D+00 -0.447593D+00 -0.722682D+00
      3  -0.745192D+00 -0.102659D+01 -0.861725D+00 -0.722682D+00 -0.462434D+00
               226           227           228           229           230 
      1   0.271068D+01  0.232048D+01 -0.107859D+01  0.189778D+01  0.151008D+01
      2   0.232048D+01  0.267018D+01 -0.712606D+00  0.151008D+01  0.428662D+01
      3  -0.107859D+01 -0.712606D+00  0.107982D+01 -0.823849D+00 -0.117848D+01
               231           232           233           234 
      1  -0.823849D+00 -0.191625D+01 -0.126660D+01  0.153650D+01
      2  -0.117848D+01 -0.126660D+01 -0.343757D+01  0.126216D+01
      3   0.790812D+00  0.153650D+01  0.126216D+01 -0.192013D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.181245D+01 -0.168272D+01  0.298178D+01  0.714819D+00 -0.328408D+01
      2  -0.665106D+01  0.747608D+01 -0.436058D+01  0.620751D+01  0.496414D+01
      3   0.884431D+01 -0.844807D+01 -0.723159D+01 -0.273893D+01  0.504069D+01
                 6             7             8             9            10 
      1  -0.116627D+01  0.330618D+01  0.944020D+01  0.254827D+01 -0.194652D+01
      2  -0.319609D+00 -0.922608D+01 -0.599148D+01 -0.109530D+00  0.217081D+01
      3  -0.176438D+01 -0.992024D+01 -0.273363D+01 -0.267711D+01 -0.765061D+00
                11            12            13            14            15 
      1  -0.307190D+01 -0.429430D+01 -0.290482D+01 -0.105631D+02 -0.393106D+01
      2  -0.242260D+01  0.450940D-01 -0.328867D+01  0.228753D+01  0.588156D+00
      3   0.772825D+01  0.490725D+01  0.120110D+02 -0.491617D+01 -0.228956D+00
                16            17            18            19            20 
      1  -0.520796D+01  0.522127D+01  0.144080D+02 -0.211226D+01  0.243717D+01
      2  -0.502612D+01  0.672532D+00 -0.506515D+01  0.221734D+01  0.660857D+01
      3   0.660202D+01  0.917390D-01  0.325161D+01  0.356254D+01 -0.132476D+01
                21            22            23            24            25 
      1  -0.655098D+01 -0.132128D+01 -0.950215D+01  0.744838D+01 -0.863736D+01
      2  -0.539287D+01  0.251026D+01 -0.734583D+01  0.824015D+01 -0.137124D+02
      3  -0.487179D+01  0.117279D+02 -0.180476D+02  0.792284D+01  0.797407D+00
                26            27            28            29            30 
      1   0.139993D+02  0.221532D+01 -0.852715D+01 -0.695210D+00  0.592275D+01
      2   0.772082D+01 -0.229803D+01 -0.815309D+01  0.373916D+01  0.753895D+01
      3   0.316493D+01 -0.260037D+00  0.827970D+01 -0.140516D+02  0.431244D+01
                31            32            33            34            35 
      1  -0.351371D+01  0.115535D+02 -0.903482D+01  0.223299D+01 -0.788642D+00
      2  -0.224157D+01  0.152405D+02 -0.867942D+01 -0.645088D+00 -0.492434D+01
      3  -0.134749D+01  0.641949D+01 -0.122077D+02  0.907818D+01 -0.166520D+02
                36            37            38            39            40 
      1   0.288751D+01 -0.102325D+01 -0.171616D+01  0.276786D+01 -0.451114D+01
      2  -0.243783D+01  0.105324D+02 -0.731442D+01 -0.188933D+01 -0.300913D+01
      3   0.234258D+01 -0.185389D+01 -0.624163D+00  0.169546D+01  0.839175D+01
                41            42            43            44            45 
      1   0.779654D+01 -0.911278D+01  0.634985D+01 -0.433497D+01 -0.248520D+01
      2   0.356796D+01 -0.176514D+01 -0.156943D+02  0.470789D+01  0.362149D+01
      3  -0.429985D+01 -0.192277D+01  0.264341D+01  0.643165D+00 -0.228485D+01
                46            47            48            49            50 
      1   0.383464D+01 -0.393371D+00 -0.158637D+01 -0.176817D+01 -0.384464D+01
      2  -0.132655D+02  0.960985D+00  0.879477D+01  0.288923D+01 -0.898335D+00
      3   0.391168D+01 -0.101390D+02 -0.175712D+01 -0.118247D+01 -0.132797D+02
                51            52            53            54            55 
      1  -0.153493D+01 -0.358750D+01  0.773382D+01  0.710597D+00  0.362027D+01
      2  -0.356487D+01  0.334537D+01 -0.741514D+01  0.413996D+01  0.258181D+01
      3  -0.121915D+01 -0.504106D+01  0.642481D+00  0.747124D+01 -0.299314D+01
                56            57            58            59            60 
      1   0.164408D+01  0.514276D+01  0.232936D+01  0.428748D+01 -0.489693D+01
      2   0.239316D+01  0.407336D+01  0.149406D+01  0.193787D+01 -0.128536D+01
      3  -0.445797D+01 -0.414236D+01  0.307339D+01  0.131614D+02 -0.208100D+01
                61            62            63            64            65 
      1   0.340076D+01  0.195303D+01 -0.112579D+02 -0.155995D+01  0.387120D+01
      2  -0.136836D+01 -0.239870D+01 -0.572669D+01 -0.258879D+01 -0.587247D+01
      3  -0.536414D+01 -0.372035D+01 -0.347292D+01  0.397875D+00 -0.724789D+01
                66            67            68            69            70 
      1  -0.102208D+02  0.691762D+01 -0.848091D+01  0.421811D+01 -0.743945D+01
      2   0.116498D+02 -0.328234D+01 -0.741013D+01  0.904074D+01  0.417959D+01
      3   0.758478D+01 -0.156590D+01 -0.140760D+01  0.341574D+01  0.517880D+01
                71            72            73            74            75 
      1   0.743638D+01  0.903415D+01 -0.286728D+01  0.653835D+00 -0.286222D+01
      2   0.695512D+01  0.658428D+01  0.247057D+01  0.136792D+01  0.607028D+01
      3   0.173419D+01  0.165550D+01  0.369256D+01 -0.381463D+01  0.225064D+01
                76            77            78            79            80 
      1   0.241845D+00  0.116589D-01 -0.164295D+00 -0.303969D+01  0.124457D+01
      2  -0.516927D+00  0.481170D+00 -0.832393D+00  0.279204D+01  0.202219D+01
      3  -0.289784D+00  0.218317D+01 -0.111809D+01  0.450264D+01 -0.251266D+01
                81            82            83            84            85 
      1  -0.440838D+01  0.160929D+01  0.181190D+01  0.542570D-01  0.115596D+01
      2   0.883022D+01 -0.963054D+00 -0.107505D+01  0.144796D+01 -0.166556D+01
      3   0.237130D+01  0.199023D+01  0.180761D+00 -0.598191D+00  0.579684D+01
                86            87            88            89            90 
      1   0.935288D+01 -0.484952D+01  0.146691D+00 -0.221413D+01  0.216295D+00
      2  -0.138384D+01  0.827039D+00 -0.666064D-01  0.478445D+00  0.135899D+00
      3  -0.279013D+01  0.348687D+00 -0.189202D+01  0.602423D+00 -0.577020D+00
                91            92            93            94            95 
      1  -0.230326D+01 -0.377566D+00  0.275700D+01 -0.529207D+00 -0.128949D+01
      2   0.136178D+01  0.392791D+00 -0.621861D+00  0.101885D+01  0.467035D+00
      3  -0.218125D+01 -0.212501D+01  0.172537D+01 -0.656119D+00  0.864990D+00
                96            97            98            99           100 
      1   0.122951D+01  0.235798D+01  0.163836D+01 -0.175190D+02  0.743981D+01
      2  -0.395856D+00 -0.539147D+01  0.840643D+00  0.540496D+01  0.104228D+02
      3  -0.522092D+00  0.364507D+01 -0.650398D+00 -0.217232D+01 -0.104618D+02
               101           102           103           104           105 
      1  -0.106895D+01  0.343926D+01  0.373655D+00  0.241112D+00 -0.110639D+00
      2  -0.484330D+01  0.832657D+01  0.134696D+01 -0.142237D+01  0.539698D+00
      3  -0.327926D+01 -0.356610D+01 -0.986169D+00  0.100872D+01 -0.147434D-01
               106           107           108           109           110 
      1   0.310623D+01  0.887001D+00  0.144387D+01  0.207631D+01 -0.197449D+01
      2   0.200668D+01  0.233871D+01  0.493702D+01 -0.154160D+00 -0.279852D+01
      3  -0.883716D+01  0.107539D+01 -0.186147D+01  0.242820D+01  0.328291D+01
               111           112           113           114           115 
      1  -0.184075D+01  0.149249D+01 -0.266831D+01 -0.554290D+01 -0.221307D+01
      2  -0.844700D+00 -0.136205D+01 -0.706187D+01 -0.386175D+01 -0.992088D+00
      3   0.251281D+01  0.218278D+01  0.187092D+02  0.762648D+01  0.112183D+01
               116           117           118           119           120 
      1   0.156688D+01 -0.322254D+01  0.723350D+00  0.561458D+00 -0.126746D+00
      2  -0.463519D+01 -0.216826D+01 -0.540764D+00 -0.593581D+00  0.852706D+00
      3   0.121697D+02  0.385622D+01  0.526155D-01 -0.831626D+00 -0.830681D-01
               121           122           123           124           125 
      1  -0.279688D+00  0.577827D+01 -0.129789D+01 -0.584776D-02  0.338410D+01
      2  -0.299918D+01 -0.269367D+00  0.242342D+00 -0.253784D+01 -0.537663D+00
      3   0.490933D+01  0.509950D-01  0.187579D+00  0.133544D+01  0.136722D+00
               126           127           128           129           130 
      1  -0.878585D+00 -0.872143D+01  0.238544D+01  0.283347D+01  0.574183D+01
      2  -0.394596D+00  0.128164D+02  0.132772D+01  0.958330D+01  0.221817D+01
      3   0.261621D+00  0.204728D+01  0.138199D+01  0.648996D+01  0.590943D+01
               131           132           133           134           135 
      1   0.143690D+02 -0.866773D+01  0.321761D+01 -0.426960D+00 -0.609581D+01
      2  -0.228293D+01  0.250700D+01  0.515054D+01  0.302069D+01 -0.455197D+01
      3   0.685721D+01 -0.102703D+01  0.650840D+01  0.153729D+00 -0.587454D+01
               136           137           138           139           140 
      1  -0.197259D+01  0.916898D-01  0.239825D+01 -0.106213D+01 -0.139694D+01
      2   0.109890D+02 -0.232426D+01 -0.725474D+01 -0.315135D+01 -0.206848D+01
      3  -0.843284D+01  0.484213D+01  0.367909D+01  0.143009D+02  0.195090D+02
               141           142           143           144           145 
      1  -0.521220D+01  0.380962D+01 -0.952725D+00  0.395496D+01 -0.163813D+01
      2   0.932098D+01 -0.176949D+02  0.899919D+01 -0.105032D+02  0.282076D-01
      3   0.333034D+01  0.389797D+01  0.285144D+01 -0.116698D+02 -0.735813D+01
               146           147           148           149           150 
      1   0.230944D+00  0.314460D+01  0.430000D+00 -0.137631D+01 -0.410418D+01
      2   0.525128D+00  0.347308D+01 -0.453745D+00 -0.530625D+00 -0.234413D+01
      3  -0.103923D+01  0.922809D+00  0.467491D+01  0.182764D+00  0.191284D+00
               151           152           153           154           155 
      1   0.163187D+01 -0.614731D+00 -0.568775D+00  0.230440D+01  0.244974D+01
      2  -0.322214D+00 -0.115105D+01 -0.503931D+00 -0.783011D+01  0.155537D+01
      3   0.162056D+01  0.107371D+01 -0.196102D+00 -0.484817D+01 -0.119427D+01
               156           157           158           159           160 
      1   0.462532D+01  0.691137D+00  0.954760D+00 -0.147566D+00  0.356937D+01
      2  -0.344952D+01  0.736670D+00  0.244224D+00 -0.154206D+01 -0.750025D+01
      3  -0.384148D+01  0.148961D+01  0.448813D+00 -0.959272D+00 -0.372389D+01
               161           162           163           164           165 
      1   0.277492D+01  0.321409D+01 -0.144454D+01 -0.472934D+01 -0.480642D+00
      2  -0.795486D+00 -0.163498D+01  0.912867D+01  0.466164D+01 -0.371584D+01
      3  -0.159094D+01 -0.269275D+01  0.561065D+01  0.147549D+01 -0.329403D+01
               166           167           168           169           170 
      1  -0.220089D+01 -0.385042D+01 -0.149061D+01  0.437392D+00  0.242723D+01
      2   0.449334D+01  0.481690D+01 -0.306506D+01 -0.482806D+01 -0.320841D+01
      3   0.451598D+01  0.198756D+01 -0.231837D+01 -0.286636D+01 -0.571773D+00
               171           172           173           174           175 
      1  -0.551224D-02  0.403936D+01  0.331891D+01  0.209142D+01  0.200115D+01
      2   0.288682D+01 -0.173590D+02 -0.168063D+01 -0.366834D+01 -0.202242D+01
      3   0.227557D+01 -0.704159D+01 -0.218449D+01 -0.249550D+01  0.462793D+00
               176           177           178           179           180 
      1   0.529711D+00  0.306178D+00  0.203738D+01  0.210846D+01  0.243509D+01
      2  -0.158694D+01 -0.499660D+00 -0.693793D+01 -0.536410D+00 -0.359596D+01
      3  -0.117038D+01  0.876408D-01 -0.249694D+01 -0.748792D+00 -0.144825D+01
               181           182           183           184           185 
      1  -0.100110D+01 -0.181824D+01 -0.630146D+00 -0.305311D+01 -0.157842D+02
      2  -0.629151D+00  0.982736D+00  0.554742D+00  0.281090D+01 -0.297403D+00
      3  -0.102401D+01 -0.101959D+01 -0.428640D-02  0.314299D+01 -0.883121D+01
               186           187           188           189           190 
      1  -0.145682D+01 -0.455278D+00  0.560655D+00 -0.115541D+01  0.504732D+01
      2   0.198954D+01 -0.943404D+00  0.263092D+00  0.436760D+00  0.406805D+01
      3   0.226948D+01 -0.211356D+00 -0.322640D+00 -0.159123D+00  0.365734D+01
               191           192           193           194           195 
      1  -0.398379D+01 -0.488637D+01 -0.291071D+01  0.223264D+01  0.322262D+01
      2  -0.108109D+01  0.668554D+00 -0.236135D+01  0.110646D+00 -0.122086D+01
      3  -0.356709D+01 -0.338626D+01 -0.151904D+01  0.142918D+01  0.206143D+01
               196           197           198           199           200 
      1  -0.405451D+01  0.456552D+01  0.712451D+01 -0.166441D+01  0.744657D+00
      2  -0.493034D+01 -0.182118D-01 -0.941786D+00  0.279564D+01  0.544298D-01
      3  -0.289792D+01  0.227198D+01  0.370141D+01  0.299214D+01 -0.187834D+01
               201           202           203           204           205 
      1  -0.100914D+01  0.351758D+00 -0.160688D+01  0.131249D+01 -0.130553D+01
      2   0.482592D+01  0.689173D+00  0.340475D+01 -0.631600D+01  0.295745D+01
      3   0.149284D+01 -0.943193D+00  0.213661D+01 -0.383128D+01  0.115868D+01
               206           207           208           209           210 
      1   0.451222D+01 -0.504759D+01  0.174332D+01 -0.873335D+00 -0.898560D+00
      2  -0.528510D+01  0.174278D+02 -0.931643D+01  0.170196D+01  0.963619D+01
      3  -0.572203D+01  0.631320D+01  0.793763D+01 -0.637728D+01 -0.299907D+01
               211           212           213           214           215 
      1  -0.312593D+00  0.837778D+00 -0.301369D+00 -0.174635D+01  0.164460D+01
      2   0.295394D+01 -0.222271D+01 -0.439702D+01  0.775854D+01 -0.265575D+01
      3  -0.468129D+01  0.227239D+01  0.210706D+01 -0.425619D+01  0.459532D+01
               216           217           218           219           220 
      1   0.933883D+00  0.531110D+00  0.366383D+00 -0.488829D+00  0.368086D+00
      2  -0.872111D+01 -0.711616D+00 -0.165575D-01  0.192848D+01  0.265650D+00
      3   0.397701D+01 -0.261173D+01 -0.368417D+01 -0.562879D+00 -0.445835D+01
               221           222           223           224           225 
      1   0.263265D+01 -0.382530D+01 -0.522152D+00  0.493421D+00 -0.387287D+00
      2   0.104994D+01  0.385703D+01  0.165836D+01  0.138019D+01  0.107798D+01
      3  -0.233107D+02 -0.171211D+01 -0.959540D+00 -0.158213D+01 -0.130759D+01
               226           227           228           229           230 
      1   0.200024D+01  0.181766D+01 -0.228289D+01  0.153327D+01  0.253583D+01
      2  -0.339636D+01 -0.319152D+01  0.459514D+01 -0.328044D+01 -0.379184D+01
      3  -0.172495D+01 -0.226831D+01  0.722303D+00  0.255069D+01 -0.831034D+01
               231           232           233           234 
      1  -0.375664D+01 -0.149740D+01 -0.359450D+01  0.244341D+01
      2   0.293650D+01  0.319734D+01  0.425491D+01 -0.684945D+01
      3   0.139765D+01  0.376414D+00  0.560045D+01 -0.823415D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.567245D+01 -0.103596D+02 -0.667207D+01 -0.293931D+01  0.339487D+00
      2   0.558202D+01  0.670710D+01  0.897077D+01  0.116234D+01  0.120960D+01
      3   0.904264D-01  0.365253D+01 -0.229870D+01  0.177697D+01 -0.154908D+01
      4  -0.696463D+01 -0.176954D+02  0.276386D+01 -0.282393D+01 -0.213411D+02
      5  -0.891361D+01  0.419534D+00 -0.165070D+02  0.684577D+01  0.479368D+01
      6  -0.196251D+01  0.823148D+01 -0.203161D+01  0.489184D+01  0.411422D+01
                 6             7             8             9            10 
      1   0.790964D+01 -0.869328D+01  0.812597D+01 -0.132915D+02 -0.692519D+01
      2  -0.244171D+01  0.121904D+02  0.353444D-01  0.112714D+02  0.611654D+01
      3  -0.546793D+01 -0.349712D+01 -0.816131D+01  0.202008D+01  0.808649D+00
      4   0.793659D+01  0.804430D+01  0.181614D+02 -0.113906D+02 -0.283635D+00
      5   0.151688D+01 -0.208013D+02 -0.526423D+01 -0.841188D+01  0.239214D+01
      6  -0.226444D+01 -0.565054D+01 -0.652386D+01 -0.290834D+00  0.821142D+01
                11            12            13            14            15 
      1   0.939599D+01 -0.135581D+01  0.129255D+02  0.205891D+02 -0.283452D+01
      2  -0.133522D+02 -0.488703D+00 -0.153414D+02 -0.429376D+02  0.927429D+00
      3   0.395625D+01  0.184451D+01  0.241590D+01  0.223485D+02  0.190709D+01
      4  -0.220060D+01  0.256008D+01  0.225394D+01 -0.134978D+02 -0.532347D+00
      5   0.166073D+01  0.136066D+01  0.137951D+01 -0.345128D+01  0.832028D+00
      6  -0.169957D+01  0.725917D+01 -0.334976D+01 -0.272854D+01  0.454649D+01
                16            17            18            19            20 
      1  -0.137516D+01 -0.463635D+01  0.145899D+02 -0.201129D+02  0.102744D+02
      2  -0.344471D+01  0.116861D+02  0.831057D+01 -0.585828D+01  0.124745D+02
      3   0.481987D+01 -0.704976D+01 -0.229004D+02  0.259712D+02 -0.227489D+02
      4   0.270976D+01 -0.154591D+01  0.415661D+01  0.589692D+02 -0.427928D+02
      5   0.423700D+01  0.100193D+01  0.320815D+01  0.244107D+02 -0.774479D+01
      6   0.609927D+01  0.192354D+01 -0.169609D+02 -0.110681D+02  0.128269D+01
                21            22            23            24            25 
      1   0.139988D+02  0.247738D+02 -0.186292D+02 -0.118431D+02 -0.147430D+01
      2  -0.998497D+01 -0.318958D+01 -0.928850D+01  0.166403D+02 -0.868651D+00
      3  -0.401388D+01 -0.215843D+02  0.279177D+02 -0.479727D+01  0.234295D+01
      4  -0.815786D+01 -0.523431D+02  0.653124D+02 -0.480239D+00 -0.430408D+01
      5  -0.117917D+02 -0.208801D+02  0.419960D+01  0.177815D+02  0.894794D+01
      6   0.114272D+02  0.759815D+01  0.256435D+01 -0.755676D+01  0.570176D+00
                26            27            28            29            30 
      1  -0.287467D+01 -0.416992D+01  0.109466D+02 -0.127312D+02 -0.245673D+02
      2   0.607813D+01 -0.836605D+01  0.347370D+01 -0.852833D+01  0.168782D+02
      3  -0.320346D+01  0.125360D+02 -0.144203D+02  0.212595D+02  0.768912D+01
      4  -0.409851D+01  0.883967D+01 -0.410712D+02  0.489726D+02  0.210315D+02
      5   0.159198D+01 -0.446145D+01 -0.451898D+02  0.181342D+02  0.203322D+02
      6   0.675766D+01 -0.155510D+01  0.219873D+02 -0.124133D+02 -0.108276D+02
                31            32            33            34            35 
      1  -0.169392D+02  0.205312D+02  0.182675D+02 -0.377580D+02  0.255110D+02
      2  -0.970908D+01  0.935670D+01 -0.236000D+02  0.251307D+02 -0.305956D+02
      3   0.266483D+02 -0.298879D+02  0.533248D+01  0.126273D+02  0.508455D+01
      4   0.580937D+02 -0.581085D+02  0.909944D+01  0.171008D+02  0.116815D+02
      5   0.103077D+02  0.973737D+01 -0.147443D+02  0.266980D+02 -0.201579D+02
      6  -0.505765D+01 -0.208373D+02  0.944578D+01 -0.156253D+02  0.153873D+02
                36            37            38            39            40 
      1   0.390130D+01  0.567444D+01 -0.619185D+01  0.210099D+01 -0.104618D+02
      2  -0.490610D+01  0.441619D+01  0.352510D-01 -0.463893D+01 -0.470418D+00
      3   0.100480D+01 -0.100906D+02  0.615660D+01  0.253794D+01  0.109322D+02
      4  -0.191797D+02 -0.319117D+02  0.119937D+02  0.494393D+01  0.570190D+01
      5  -0.121354D+02 -0.436823D+01  0.326949D+00  0.529009D+00  0.391474D+01
      6  -0.990103D+00  0.486933D+01 -0.736106D+01 -0.412829D+01 -0.838079D+01
                41            42            43            44            45 
      1   0.249952D+02  0.724036D+01  0.147629D+02  0.460031D+01  0.423114D+01
      2  -0.619629D+01 -0.332667D+01 -0.949750D+01 -0.702874D+01 -0.873678D+00
      3  -0.187989D+02 -0.391369D+01 -0.526542D+01  0.242843D+01 -0.335746D+01
      4  -0.955977D+01 -0.202054D+01  0.134215D+02 -0.573174D+01 -0.641215D+01
      5  -0.610050D+01  0.247076D+01 -0.573439D+01  0.354153D+01 -0.222718D+01
      6  -0.208267D+01 -0.198389D+02 -0.186571D+01 -0.164372D+02 -0.738539D+00
                46            47            48            49            50 
      1  -0.158492D+02 -0.549435D+01 -0.134530D+02 -0.280906D+01  0.975641D+00
      2   0.192919D+01  0.305195D+01  0.112853D+02  0.662946D+01 -0.362549D+00
      3   0.139201D+02  0.244241D+01  0.216775D+01 -0.382039D+01 -0.613093D+00
      4   0.215399D+01  0.290256D+01 -0.924407D+01  0.828005D+00  0.202190D+02
      5  -0.143360D+02 -0.182180D+01  0.792988D+01 -0.899443D+00 -0.173141D+01
      6  -0.611901D+01  0.158096D+00  0.362968D+01  0.997675D+00 -0.722860D+01
                51            52            53            54            55 
      1  -0.701026D+01 -0.181488D+02 -0.476537D+01  0.966152D+01 -0.353376D+01
      2  -0.294072D+01  0.133137D+02  0.158801D+01 -0.598536D+01 -0.823328D+01
      3   0.995098D+01  0.483507D+01  0.317736D+01 -0.367616D+01  0.117670D+02
      4  -0.152340D+01 -0.189977D+02  0.530879D+00  0.171860D+01  0.169487D+02
      5  -0.456029D+01  0.981220D+01 -0.486379D+01  0.290351D+01  0.430377D+01
      6   0.217352D+01  0.386870D+01 -0.100737D+01  0.902646D+00 -0.566909D+01
                56            57            58            59            60 
      1   0.162021D+01  0.364643D+01 -0.229778D+01 -0.140820D+02  0.120502D+01
      2   0.127469D+02 -0.530288D+01  0.101519D+02  0.785030D+01  0.542844D+00
      3  -0.143671D+02  0.165645D+01 -0.785412D+01  0.623167D+01 -0.174786D+01
      4  -0.225554D+02 -0.529339D+01 -0.212097D+02  0.101549D+02  0.580638D+01
      5  -0.363114D+01 -0.115326D+01 -0.603308D+01  0.636099D+01  0.265448D+01
      6  -0.172170D+01 -0.833813D+01  0.583363D+00  0.345849D+01 -0.897085D+00
                61            62            63            64            65 
      1   0.298785D+01  0.380334D+01  0.330548D+01  0.754211D+01  0.105891D+02
      2  -0.250134D+01 -0.926909D+01  0.547832D+01  0.566236D+01 -0.687033D+01
      3  -0.486512D+00  0.546575D+01 -0.878380D+01 -0.132045D+02 -0.371873D+01
      4  -0.215504D+01  0.733027D+01 -0.346664D+01  0.574700D+00 -0.480228D+01
      5   0.918242D+00 -0.392484D+00 -0.137397D+01 -0.514117D+01  0.749342D+01
      6  -0.589552D+01  0.278265D+01  0.112619D+02  0.124321D+02  0.153723D+02
                66            67            68            69            70 
      1  -0.402842D+01  0.159396D+02 -0.975149D+01 -0.219583D+01 -0.203852D+00
      2   0.148944D+02 -0.404111D+01  0.378963D+01 -0.672567D+01  0.116095D+02
      3  -0.108660D+02 -0.118985D+02  0.596186D+01  0.892149D+01 -0.114056D+02
      4   0.707287D+01 -0.334338D+01 -0.350941D+01  0.365375D+01 -0.378530D+00
      5  -0.169831D+02  0.170666D+01  0.920162D+01 -0.961108D+01 -0.147127D+02
      6  -0.188249D+01  0.140879D+02 -0.127826D+02 -0.243924D+00  0.197107D+01
                71            72            73            74            75 
      1  -0.555582D+01 -0.644363D+01  0.231113D+02  0.241350D+01  0.110514D+02
      2   0.659617D+00 -0.306334D+01 -0.175976D+02 -0.198109D+01 -0.116984D+02
      3   0.489620D+01  0.950697D+01 -0.551368D+01 -0.432404D+00  0.646971D+00
      4   0.591097D+01  0.318138D+01  0.824339D+01  0.913910D+01  0.548666D+01
      5  -0.274010D+01 -0.454877D+01  0.198781D+02  0.331989D+01  0.180290D+02
      6  -0.288988D+01  0.121222D+01  0.248560D+01  0.135543D+01  0.342052D+01
                76            77            78            79            80 
      1  -0.474813D+01  0.980055D+00 -0.256884D+01  0.143624D+02 -0.354239D+00
      2   0.425780D+01 -0.396525D+00  0.324089D+01 -0.151828D+02 -0.157501D+00
      3   0.490337D+00 -0.583529D+00 -0.672049D+00  0.820368D+00  0.511741D+00
      4   0.565474D+01  0.724708D+00  0.242450D+01  0.688633D+01  0.371455D+01
      5  -0.305235D+01  0.350291D+01 -0.235373D+01  0.223729D+02  0.509874D+01
      6   0.202564D+01 -0.153029D+00  0.375762D+01  0.379993D+01  0.485547D+01
                81            82            83            84            85 
      1   0.746994D+01 -0.337227D+00 -0.272181D+01 -0.372141D+00 -0.371325D+01
      2  -0.161159D+02  0.648599D+01  0.862104D+01  0.985994D+00  0.974466D+01
      3   0.864596D+01 -0.614876D+01 -0.589922D+01 -0.613852D+00 -0.603141D+01
      4   0.810420D+01  0.665927D+01  0.135227D+02  0.761246D+00  0.113883D+02
      5   0.256241D+02  0.145281D+01  0.224834D+01  0.205147D+01  0.207818D+01
      6   0.521299D+01  0.866363D+00  0.258509D+01  0.664722D+00  0.316440D+01
                86            87            88            89            90 
      1  -0.390446D+02 -0.350290D+01  0.204798D+00  0.292471D+01 -0.534176D+01
      2   0.721369D+02  0.321030D+01 -0.731285D+00 -0.799142D+01  0.432290D+01
      3  -0.330923D+02  0.292606D+00  0.526487D+00  0.506670D+01  0.101887D+01
      4   0.219443D+02  0.199846D+01 -0.153326D+01 -0.235555D+01  0.138680D+01
      5   0.293555D+01  0.179862D+01  0.985986D+00  0.187674D+01 -0.269902D+00
      6   0.141317D+02  0.919916D+01  0.329909D+00  0.790702D+01  0.133879D+01
                91            92            93            94            95 
      1  -0.814413D+00  0.961724D+00  0.342167D+01 -0.163136D+01 -0.546992D+01
      2  -0.348892D+01 -0.158328D+00  0.186222D-01  0.849529D+00  0.543401D+01
      3   0.430333D+01 -0.803396D+00 -0.344029D+01  0.781827D+00  0.359061D-01
      4  -0.196504D+01  0.309295D+01  0.292999D+01  0.600372D+00 -0.126478D+00
      5  -0.201481D+01  0.870291D+00  0.614513D+01 -0.251652D+00  0.131322D-01
      6   0.229232D+01 -0.229808D+01 -0.481201D+01 -0.824752D+00  0.338633D+01
                96            97            98            99           100 
      1  -0.137951D+01  0.427119D+01 -0.818551D+01 -0.250711D+02  0.599605D+02
      2   0.327777D+01  0.997323D+00  0.311808D+01 -0.127711D+02 -0.275019D+02
      3  -0.189825D+01 -0.526851D+01  0.506743D+01  0.378422D+02 -0.324586D+02
      4  -0.154773D+00  0.360046D+01  0.155670D+00 -0.927470D-01 -0.317413D+02
      5  -0.614971D+00  0.518940D+01  0.589664D+00  0.213308D+01  0.181555D+02
      6   0.450894D+01 -0.274114D+01  0.121685D+02  0.287735D+02 -0.105360D+02
               101           102           103           104           105 
      1  -0.105537D+02  0.153460D+02 -0.111268D+01  0.442060D+01  0.111206D+01
      2   0.140594D+01 -0.775525D+01 -0.334823D+01  0.270937D+01 -0.353372D+00
      3   0.914780D+01 -0.759072D+01  0.446091D+01 -0.712997D+01 -0.758691D+00
      4   0.176556D+02 -0.100306D+02  0.122392D+02 -0.945951D+01 -0.601590D+00
      5  -0.596676D+01  0.111647D+02  0.358998D+01 -0.149012D+01 -0.167602D+00
      6   0.409352D+01 -0.594762D+01 -0.700103D+00  0.180751D+01  0.150730D+01
               106           107           108           109           110 
      1   0.324197D+02 -0.804554D+01  0.763707D+01  0.393293D+01 -0.956026D+01
      2  -0.176459D+02  0.382429D+01 -0.637638D+01  0.185403D+01  0.644146D+01
      3  -0.147737D+02  0.422125D+01 -0.126069D+01 -0.578696D+01  0.311881D+01
      4  -0.141433D+02  0.297031D+01 -0.292760D+01 -0.500951D+01  0.429553D+01
      5   0.847611D+01  0.472449D+00  0.895306D+01  0.170601D+01 -0.282443D+01
      6  -0.349505D+01  0.110811D+01 -0.305119D+01 -0.134652D+00  0.631039D+01
               111           112           113           114           115 
      1  -0.263768D+01 -0.317866D+01 -0.245162D+02 -0.103291D+02  0.840168D+00
      2   0.260599D+01 -0.185063D+01  0.410229D+02  0.126519D+02 -0.269836D+01
      3   0.316936D-01  0.502929D+01 -0.165067D+02 -0.232281D+01  0.185819D+01
      4  -0.268350D+01  0.128611D+02 -0.305449D+02 -0.112761D+02 -0.147304D+00
      5  -0.108818D+01  0.356818D+01 -0.135899D+02 -0.840065D+01 -0.104427D+00
      6   0.358515D+01 -0.368168D+01  0.217408D+02  0.130795D+02  0.101307D+01
               116           117           118           119           120 
      1  -0.163562D+02 -0.878887D+01 -0.585662D-01 -0.127961D+01 -0.158346D+01
      2   0.215946D+02  0.697545D+01  0.152553D+00  0.513794D+00  0.206180D+00
      3  -0.523847D+01  0.181342D+01 -0.939865D-01  0.765818D+00  0.137728D+01
      4  -0.117159D+02 -0.358560D+01  0.241651D+01  0.729235D+01  0.342786D+01
      5  -0.502140D+01 -0.344083D+01  0.782455D+00  0.442048D+01  0.551896D+01
      6   0.108824D+02  0.862406D+01  0.475635D+01  0.188565D+01  0.270259D+01
               121           122           123           124           125 
      1  -0.297713D+01 -0.179632D+02 -0.127594D+02 -0.648803D+00 -0.100196D+02
      2   0.162333D+01  0.151388D+02  0.521388D+01  0.513312D+00  0.266176D+01
      3   0.135381D+01  0.282443D+01  0.754556D+01  0.135491D+00  0.735779D+01
      4   0.641372D+01  0.501058D+01  0.281586D+01  0.963914D+00  0.219782D+01
      5   0.354135D+01  0.150063D+01  0.200291D+01  0.334532D+01  0.138008D+01
      6   0.220429D+01  0.219436D+02  0.188234D+02  0.250405D+01  0.162605D+02
               126           127           128           129           130 
      1  -0.144413D+02  0.116471D+02  0.385795D+01  0.629785D+01  0.595283D+01
      2  -0.990558D+00  0.108932D+02 -0.665347D+01 -0.126469D+02 -0.126850D+02
      3   0.154319D+02 -0.225403D+02  0.279552D+01  0.634901D+01  0.673220D+01
      4   0.317119D+01  0.742024D+01  0.589726D+00  0.398919D+01 -0.114253D+01
      5   0.131908D+01  0.575008D+01 -0.480958D+01 -0.208558D+02 -0.663913D+01
      6   0.156170D+02 -0.383412D+00  0.383017D+01  0.231100D+01  0.552659D+01
               131           132           133           134           135 
      1   0.888910D+01  0.293403D+01  0.601421D+01  0.600859D+01 -0.135936D+02
      2  -0.238919D+02  0.138421D+02 -0.115533D+02  0.537381D+01  0.120314D+02
      3   0.150028D+02 -0.167761D+02  0.553911D+01 -0.113824D+02  0.156223D+01
      4  -0.176743D+02  0.168940D+01  0.548013D+01 -0.420715D+00  0.195483D+01
      5   0.416708D+01  0.103556D+02 -0.204160D+02  0.624163D+01  0.959989D+01
      6   0.208092D+02  0.148741D+01  0.105531D+01  0.544270D+01 -0.135855D+02
               136           137           138           139           140 
      1   0.323549D+01  0.169387D+02  0.244994D+02  0.231419D+02  0.126708D+01
      2   0.964668D+00 -0.124335D+02 -0.119808D+02 -0.205166D+02 -0.147112D+02
      3  -0.420015D+01 -0.450527D+01 -0.125186D+02 -0.262531D+01  0.134442D+02
      4   0.165334D+02 -0.516696D+01  0.235630D+01 -0.110966D+02 -0.356054D+02
      5   0.262987D+02 -0.969812D+00 -0.134182D+02 -0.273427D+01 -0.375667D+01
      6   0.458230D+01 -0.678634D+00 -0.153294D+01 -0.166538D+01 -0.586134D+01
               141           142           143           144           145 
      1  -0.137484D+01  0.305767D+02 -0.213764D+01 -0.181166D+02  0.153408D+02
      2  -0.184410D+01 -0.148433D+02 -0.217470D+01  0.159653D+02  0.355707D+01
      3   0.321895D+01 -0.157334D+02  0.431234D+01  0.215136D+01 -0.188978D+02
      4  -0.333677D+01  0.344545D+01 -0.352867D+01  0.122339D+02 -0.303578D+02
      5   0.148313D+02 -0.196670D+02  0.138799D+02 -0.149353D+02 -0.400663D+01
      6   0.206738D+01 -0.160210D+01  0.272029D+01 -0.104737D+01  0.202040D+01
               146           147           148           149           150 
      1  -0.469489D+01 -0.186962D+01 -0.130579D+01 -0.428389D+01 -0.534856D+00
      2  -0.115243D+02  0.116145D+00 -0.115633D+02  0.220101D+02  0.288329D+01
      3   0.162192D+02  0.175347D+01  0.128691D+02 -0.177263D+02 -0.234843D+01
      4   0.277522D+02  0.386016D+01  0.231546D+02 -0.260045D+02 -0.344396D+01
      5   0.235883D+01  0.587851D+01  0.189653D+01 -0.261163D+01 -0.256248D+01
      6  -0.176727D+01 -0.342664D+01 -0.145653D+01  0.248065D+01  0.640758D+01
               151           152           153           154           155 
      1  -0.146995D+01 -0.664884D+00 -0.122143D+01  0.132251D+01  0.112513D+01
      2   0.857486D-01  0.346157D+01  0.200862D+01 -0.118307D+02  0.167868D+00
      3   0.138420D+01 -0.279669D+01 -0.787197D+00  0.105082D+02 -0.129299D+01
      4   0.370849D+01 -0.384868D+01 -0.508584D+01 -0.524639D+01  0.391519D+01
      5   0.553744D+01 -0.416202D+01 -0.220949D+01  0.195851D+02 -0.474818D+01
      6  -0.379634D+01  0.759388D+01  0.967013D+00 -0.928514D+01  0.457174D+01
               156           157           158           159           160 
      1  -0.320710D+01 -0.248248D+01 -0.152929D+01  0.194039D+01 -0.147615D+01
      2  -0.127780D+02 -0.361041D+00 -0.679211D+00 -0.184161D+01 -0.109905D+02
      3   0.159851D+02  0.284353D+01  0.220851D+01 -0.987751D-01  0.124667D+02
      4  -0.481881D+01  0.441018D+01 -0.188514D+01  0.284400D+01 -0.369324D+01
      5   0.190858D+02 -0.838661D+00  0.330377D+01 -0.100738D+01  0.166130D+02
      6  -0.922688D+01  0.226741D+01 -0.241457D+01  0.708071D+01 -0.626624D+01
               161           162           163           164           165 
      1   0.434399D+01 -0.117232D+02 -0.308341D+01 -0.782037D+01  0.867257D+01
      2   0.621295D+00 -0.157600D+02 -0.145901D+01  0.464531D+01  0.137177D+01
      3  -0.496529D+01  0.274832D+02  0.454242D+01  0.317506D+01 -0.100443D+02
      4   0.271003D+01 -0.402801D+01  0.830556D+01  0.821295D+01 -0.677744D+01
      5  -0.308985D+01  0.197835D+02 -0.112658D+02 -0.749794D+01  0.125194D+02
      6   0.798275D+01 -0.126035D+02 -0.959212D+01 -0.136744D+02  0.126397D+02
               166           167           168           169           170 
      1  -0.493611D+01 -0.102795D+02  0.930177D+01  0.374281D+01  0.759936D+01
      2   0.276000D+01  0.970837D+01 -0.156440D+01  0.594036D+00 -0.523133D+00
      3   0.217611D+01  0.571158D+00 -0.773738D+01 -0.433684D+01 -0.707623D+01
      4   0.754367D+01  0.591863D+01 -0.473703D+01 -0.439340D+01 -0.411171D+01
      5  -0.547723D+01 -0.666606D+01  0.522263D+01  0.879802D+01  0.469644D+01
      6  -0.856232D+01 -0.140120D+02  0.147955D+02  0.608872D+01  0.120916D+02
               171           172           173           174           175 
      1  -0.107969D+02 -0.473221D+01  0.971954D+00 -0.100271D+02 -0.858734D+00
      2  -0.319121D+01 -0.448699D+01 -0.874178D+00 -0.396689D+01  0.114558D+01
      3   0.139881D+02  0.921920D+01 -0.977757D-01  0.139940D+02 -0.286849D+00
      4   0.439294D+01 -0.884553D+01  0.446209D+00 -0.215954D+01  0.142018D+01
      5  -0.758710D+01  0.132771D+02  0.167978D+01  0.790129D+01  0.177870D+01
      6  -0.142906D+02 -0.255640D-01  0.407884D+01 -0.508141D+01  0.186386D+01
               176           177           178           179           180 
      1  -0.241371D+01 -0.738023D+00 -0.537342D+01 -0.434719D+00 -0.630867D+01
      2   0.312647D+01 -0.259027D+01 -0.255742D+01 -0.130549D+01 -0.604195D+01
      3  -0.712766D+00  0.332829D+01  0.793084D+01  0.174021D+01  0.123506D+02
      4   0.119715D+01 -0.138262D-01 -0.310839D+01  0.619682D+00 -0.255974D+01
      5   0.143731D+01 -0.154458D+01  0.967288D+01  0.585063D-01  0.497810D+01
      6  -0.174639D+01  0.189880D+01 -0.190375D+01  0.250262D+01 -0.177106D+01
               181           182           183           184           185 
      1  -0.390970D+00  0.119555D+01 -0.335139D+00 -0.452393D+00 -0.203230D+02
      2   0.156438D+01  0.193640D+01  0.138531D+01  0.512281D+01  0.370393D+02
      3  -0.117341D+01 -0.313195D+01 -0.105017D+01 -0.467041D+01 -0.167164D+02
      4   0.418270D+01  0.792964D+01 -0.224755D+01  0.106232D+02  0.209341D+02
      5  -0.243746D+01 -0.307080D+01  0.486388D+01 -0.453001D+01 -0.575415D+01
      6  -0.294430D+01 -0.328537D+01  0.117235D+01 -0.592895D+01 -0.294579D+02
               186           187           188           189           190 
      1   0.803208D+01  0.242809D+00  0.171957D+01 -0.234216D+01  0.864480D+01
      2  -0.510562D+01  0.179973D+01  0.159853D+01  0.969378D+00 -0.167690D+02
      3  -0.292646D+01 -0.204254D+01 -0.331810D+01  0.137279D+01  0.812416D+01
      4  -0.514807D+01  0.117521D+00  0.751510D+00  0.194606D+01  0.242428D+01
      5   0.423033D+01  0.301517D+01  0.122969D+01 -0.161529D+01 -0.226608D+02
      6   0.138760D+02  0.107311D+01  0.611480D+01 -0.252670D+01 -0.153311D+00
               191           192           193           194           195 
      1  -0.211964D+01 -0.916804D+00 -0.323920D+01 -0.618788D+00 -0.166803D+01
      2   0.383346D+01  0.164368D+02  0.685451D+01 -0.807875D+00 -0.873220D+01
      3  -0.171382D+01 -0.155200D+02 -0.361531D+01  0.142666D+01  0.104002D+02
      4   0.389650D+01 -0.309669D+01  0.285902D+01 -0.877845D+00 -0.269656D+01
      5   0.277190D+01  0.243856D+02  0.874116D+01 -0.548667D+01 -0.993281D+01
      6  -0.538184D+01  0.171837D+01 -0.419644D+01  0.209750D+01  0.482312D+01
               196           197           198           199           200 
      1  -0.147020D+01 -0.350996D+00 -0.638418D+01  0.889054D+01 -0.415440D+01
      2   0.134542D+02 -0.360807D+01 -0.215659D+02 -0.772309D+01  0.314724D+01
      3  -0.119840D+02  0.395907D+01  0.279501D+02 -0.116745D+01  0.100717D+01
      4  -0.235055D+01 -0.279167D+01  0.167825D+01 -0.307311D+01  0.290537D+01
      5   0.199216D+02 -0.311841D+01 -0.254293D+02  0.819354D+01 -0.310287D+01
      6   0.597247D+00  0.548653D+01 -0.878590D+00 -0.702619D+00  0.497262D+00
               201           202           203           204           205 
      1   0.557602D+01 -0.982636D+01  0.712025D+00 -0.191953D+01  0.129433D+02
      2  -0.602939D+01  0.672256D+01  0.702330D-01  0.362991D+01 -0.110098D+02
      3   0.453371D+00  0.310379D+01 -0.782258D+00 -0.171038D+01 -0.193342D+01
      4  -0.162327D+01  0.410283D+01 -0.184966D+01  0.562947D+01  0.191107D+00
      5   0.136206D+02 -0.527748D+01  0.540228D+01 -0.102026D+02  0.203242D+02
      6   0.603917D+00  0.587095D+00 -0.142022D+01  0.217899D+01  0.219803D+01
               206           207           208           209           210 
      1  -0.535694D+00  0.651948D+01  0.518438D+02 -0.870107D+01 -0.175704D+02
      2   0.344883D+01 -0.168569D+02 -0.282448D+02  0.532836D+01  0.100417D+02
      3  -0.291314D+01  0.103374D+02 -0.235989D+02  0.337271D+01  0.752868D+01
      4   0.810058D+01 -0.528231D+01 -0.258826D+01  0.864853D+01  0.117588D+01
      5  -0.716247D+01  0.329273D+02 -0.188594D+02  0.298695D+01  0.156018D+02
      6   0.299966D+01  0.320405D+01 -0.187636D+01  0.184687D-02  0.187668D+01
               211           212           213           214           215 
      1  -0.189562D+02  0.666172D+01  0.466398D+01 -0.328726D+02  0.393048D+01
      2   0.111543D+02 -0.164259D+01 -0.268843D+01  0.189339D+02 -0.254748D+01
      3   0.780191D+01 -0.501913D+01 -0.197555D+01  0.139387D+02 -0.138300D+01
      4   0.101628D+02 -0.248352D+01 -0.398198D+01 -0.221369D+00 -0.673081D+01
      5   0.612322D+01 -0.386005D+01 -0.731139D+01  0.207814D+02 -0.469017D+01
      6  -0.614273D+00  0.150043D+01  0.133021D+01  0.161912D+01  0.127623D+01
               216           217           218           219           220 
      1   0.139280D+02  0.688157D+01  0.523637D+01 -0.119523D+01  0.101642D+02
      2  -0.116261D+02 -0.369036D+00 -0.467562D+00  0.969534D+00  0.380702D+01
      3  -0.230189D+01 -0.651254D+01 -0.476881D+01  0.225699D+00 -0.139712D+02
      4  -0.270977D+01  0.767609D+01  0.117427D+02  0.982506D+00  0.261233D+02
      5  -0.162638D+02 -0.673723D+00  0.162778D+01  0.320734D+01  0.400147D+01
      6  -0.125121D+01  0.688350D+00  0.880778D+00  0.364698D+00  0.326425D+01
               221           222           223           224           225 
      1  -0.471629D+01  0.218586D+00 -0.272911D+01 -0.224158D+00  0.118064D+01
      2   0.260370D+02  0.805846D+00  0.124934D+01  0.836657D+00  0.104385D+00
      3  -0.213207D+02 -0.102443D+01  0.147977D+01 -0.612499D+00 -0.128503D+01
      4   0.476963D+02  0.426252D+01  0.117066D+01  0.288439D+01  0.390672D+01
      5   0.444452D+01  0.675061D+01  0.605563D+01  0.379644D+01  0.273026D+01
      6   0.762714D+01  0.693056D+01  0.245587D+01  0.586155D+01  0.135628D+01
               226           227           228           229           230 
      1   0.152139D+02  0.108597D+02 -0.475911D+01  0.743901D+01  0.239140D+01
      2  -0.542826D+01 -0.274198D+01  0.107395D+01  0.148029D+00  0.601157D+01
      3  -0.978565D+01 -0.811769D+01  0.368515D+01 -0.758704D+01 -0.840297D+01
      4   0.183433D+02  0.216099D+02 -0.614689D+01  0.150329D+02  0.252087D+02
      5  -0.627303D+01 -0.306854D+01  0.739771D+01 -0.285981D+01 -0.650205D+01
      6  -0.473953D+01 -0.485400D+01  0.385989D+01 -0.459830D+01 -0.587441D+01
               231           232           233           234 
      1  -0.287496D+01 -0.970549D+01 -0.413432D+01  0.512662D+01
      2  -0.169513D+01  0.362286D+01 -0.209374D+01 -0.343116D+01
      3   0.457010D+01  0.608263D+01  0.622807D+01 -0.169546D+01
      4  -0.816775D+01 -0.114142D+02 -0.208398D+02  0.100495D+02
      5   0.256630D+01  0.924185D+01  0.700019D+01 -0.920476D+01
      6   0.660895D+01  0.539116D+01  0.805533D+01 -0.586685D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.286513D+00      0.728243D+00      0.242916D+01
   x         -0.168839D+00     -0.429147D+00     -0.143148D+01
   y          0.226577D+00      0.575901D+00      0.192100D+01
   z          0.473898D-01      0.120453D+00      0.401787D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.112325D+03      0.166448D+02      0.185199D+02
   aniso      0.232743D+02      0.344890D+01      0.383742D+01
   xx         0.122601D+03      0.181675D+02      0.202141D+02
   yx        -0.680292D+01     -0.100809D+01     -0.112165D+01
   yy         0.114486D+03      0.169651D+02      0.188763D+02
   zx         0.723190D+00      0.107166D+00      0.119238D+00
   zy         0.113236D+01      0.167799D+00      0.186701D+00
   zz         0.998872D+02      0.148018D+02      0.164692D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.118846D+03      0.176111D+02      0.195950D+02
   aniso      0.253623D+02      0.375831D+01      0.418168D+01
   xx         0.129508D+03      0.191912D+02      0.213531D+02
   yx        -0.820693D+01     -0.121614D+01     -0.135314D+01
   yy         0.121303D+03      0.179752D+02      0.200001D+02
   zx         0.454774D-01      0.673906D-02      0.749821D-02
   zy         0.106242D+01      0.157435D+00      0.175170D+00
   zz         0.105726D+03      0.156670D+02      0.174318D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          3.33100666          1.44816817         -0.61672476
     6          2.77415654          0.63443705          2.14191318
     6          1.13438583          0.99788014         -2.40675749
     6          1.42459406          0.70720937         -4.88421922
     6         -1.38923463          0.90353706         -1.12383393
     6         -1.41208659         -1.34937142          0.82114988
     6         -0.06958325          0.54123161          2.65117599
     6         -1.37968134          2.71407979          1.18912524
     1          5.03469097          0.53452756         -1.33097481
     1          3.66353713          1.97073413          3.43941300
     1          3.60920599         -1.20909455          2.54050336
     1          3.27635778          0.71341487         -5.75842682
     1         -0.18634061          0.46131706         -6.12263668
     1         -2.94951664          1.00303233         -2.46655509
     6         -0.07228597         -3.78657803          0.09461033
     6         -4.09007279         -1.98614496          1.69035016
     1         -0.47404998          0.33014532          4.66334082
     1         -3.27255609          3.11748811          1.87343031
     1         -0.35499570          4.48996516          0.99710201
     1          1.82453921         -3.48426918         -0.63741466
     1         -1.13875948         -4.77312340         -1.37294088
     1          0.06148988         -5.04786272          1.72557715
     1         -5.17006994         -0.32631715          2.25201642
     1         -4.02811122         -3.26930168          3.30780736
     1         -5.13111708         -2.93281434          0.17910265
     1          3.72850942          3.47546463         -0.63009167

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.286513D+00      0.728243D+00      0.242916D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.286513D+00      0.728243D+00      0.242916D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.112325D+03      0.166448D+02      0.185199D+02
   aniso      0.232743D+02      0.344890D+01      0.383742D+01
   xx         0.110728D+03      0.164082D+02      0.182566D+02
   yx         0.550057D+01      0.815101D+00      0.906922D+00
   yy         0.102846D+03      0.152401D+02      0.169569D+02
   zx        -0.651804D+01     -0.965875D+00     -0.107468D+01
   zy        -0.532585D+00     -0.789209D-01     -0.878113D-01
   zz         0.123401D+03      0.182861D+02      0.203460D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.118846D+03      0.176111D+02      0.195950D+02
   aniso      0.253623D+02      0.375831D+01      0.418168D+01
   xx         0.115868D+03      0.171699D+02      0.191041D+02
   yx         0.552020D+01      0.818010D+00      0.910158D+00
   yy         0.109025D+03      0.161558D+02      0.179757D+02
   zx        -0.698035D+01     -0.103438D+01     -0.115090D+01
   zy        -0.809114D+00     -0.119898D+00     -0.133405D+00
   zz         0.131644D+03      0.195077D+02      0.217052D+02

 ----------------------------------------------------------------------
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 TERRY FORSTER, PORTLY ATLANTA BRAVES RELIEVER,
 ANNOUNCING THAT HE WAS GOING TO A FAT FARM:
 "A WAIST IS A TERRIBLE THING TO MIND."
 Job cpu time:       0 days  8 hours 22 minutes 23.8 seconds.
 Elapsed time:       0 days  0 hours 41 minutes 58.9 seconds.
 File lengths (MBytes):  RWF=    430 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul  9 23:36:46 2021.
